3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)

C125H98Br4I2N2 — CID 159145335

IUPAC3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
SMILESBrBr.Brc1ccc(I)cc1.CC1(C)c2cccc3ccc4cc(Br)cc1c4c23.CC1(C)c2cccc3ccc4cc(Nc5ccc(-c6ccccc6)cc5)cc1c4c23.CI.Nc1ccc(-c2ccccc2)cc1.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)ccc1cccc(c13)C2.c1cc2c3c(c1)ccc1cccc(c13)C2
InChIInChI=1S/C29H23N.C17H13Br.2C15H12.2C15H10.C12H11N.C6H4BrI.CH3I.Br2/c1-29(2)25-10-6-9-21-11-12-22-17-24(18-26(29)28(22)27(21)25)30-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-17(2)13-5-3-4-10-6-7-11-8-12(18)9-14(17)16(11)15(10)13;4*1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;7-5-1-3-6(8)4-2-5;2*1-2/h3-18,30H,1-2H3;3-9H,1-2H3;2*1-6H,7-9H2;2*1-8H,9H2;1-9H,13H2;1-4H;1H3;
InChIKeyKIPOYVMUWNSPHP-UHFFFAOYSA-N
MW2201.60 g/mol
LogP36.68
Rot. Bonds4

About 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)

3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) (PubChem CID 159145335) has the molecular formula C125H98Br4I2N2 and a molecular weight of 2201.60 g/mol. Its IUPAC name is 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene).

Molecular Properties

Compound Name3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
PubChem CID159145335
Molecular FormulaC125H98Br4I2N2
Molecular Weight2201.60 g/mol
Exact Mass2196.26
IUPAC Name3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
SMILESBrBr.Brc1ccc(I)cc1.CC1(C)c2cccc3ccc4cc(Br)cc1c4c23.CC1(C)c2cccc3ccc4cc(Nc5ccc(-c6ccccc6)cc5)cc1c4c23.CI.Nc1ccc(-c2ccccc2)cc1.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)ccc1cccc(c13)C2.c1cc2c3c(c1)ccc1cccc(c13)C2
InChIInChI=1S/C29H23N.C17H13Br.2C15H12.2C15H10.C12H11N.C6H4BrI.CH3I.Br2/c1-29(2)25-10-6-9-21-11-12-22-17-24(18-26(29)28(22)27(21)25)30-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-17(2)13-5-3-4-10-6-7-11-8-12(18)9-14(17)16(11)15(10)13;4*1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;7-5-1-3-6(8)4-2-5;2*1-2/h3-18,30H,1-2H3;3-9H,1-2H3;2*1-6H,7-9H2;2*1-8H,9H2;1-9H,13H2;1-4H;1H3;
InChIKeyKIPOYVMUWNSPHP-UHFFFAOYSA-N
XLogP36.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002201.60
LogP ≤ 536.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) with MolForge

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Related Compounds

7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
CID 159499057
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558
2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
CID 161252422
7-bromo-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;2-bromo-7-iodo-9,9-dimethylfluorene;molecular iodine;N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 165028912
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
10-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;N-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-4-phenylaniline;4-phenylaniline
CID 157289320
4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
CID 160531878
15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 159717494
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]
CID 153308816
N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161150395
2-bromo-5,5-diphenyl-4H-pyrene
CID 172785519

Frequently Asked Questions

What is the IUPAC name of 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?
The IUPAC name of 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) (CID 159145335) is 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene).
What is the SMILES notation for 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?
The canonical SMILES for 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) is BrBr.Brc1ccc(I)cc1.CC1(C)c2cccc3ccc4cc(Br)cc1c4c23.CC1(C)c2cccc3ccc4cc(Nc5ccc(-c6ccccc6)cc5)cc1c4c23.CI.Nc1ccc(-c2ccccc2)cc1.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)Cc1cccc(c1-3)CC2.c1cc2c3c(c1)ccc1cccc(c13)C2.c1cc2c3c(c1)ccc1cccc(c13)C2.
What is the InChIKey of 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?
The InChIKey is KIPOYVMUWNSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N.C17H13Br.2C15H12.2C15H10.C12H11N.C6H4BrI.CH3I.Br2/c1-29(2)25-10-6-9-21-11-12-22-17-24(18-26(29)28(22)27(21)25)30-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-17(2)13-5-3-4-10-6-7-11-8-12(18)9-14(17)16(11)15(10)13;4*1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;7-5-1-3-6(8)4-2-5;2*1-2/h3-18,30H,1-2H3;3-9H,1-2H3;2*1-6H,7-9H2;2*1-8H,9H2;1-9H,13H2;1-4H;1H3;.
What are the key properties of 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?
3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) has a molecular weight of 2201.60 g/mol, XLogP of 36.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;1-bromo-4-iodobenzene;15,15-dimethyl-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;iodomethane;molecular bromine;4-phenylaniline;bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene);bis(tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) is sourced from PubChem (CID 159145335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).