4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine

C56H60Br2N2 — CID 118655597

IUPAC4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
SMILESCCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1
InChIInChI=1S/C56H60Br2N2/c1-7-9-13-41-31-37(3)53(38(4)32-41)59(45-19-15-43(57)16-20-45)47-23-25-49-50-26-24-48(36-52(50)56-29-11-27-55(56,28-12-30-56)51(49)35-47)60(46-21-17-44(58)18-22-46)54-39(5)33-42(14-10-8-2)34-40(54)6/h15-26,31-36H,7-14,27-30H2,1-6H3
InChIKeyJDNNUASATFTEKB-UHFFFAOYSA-N
MW920.92 g/mol
LogP17.59
Rot. Bonds12

About 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine

4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine (PubChem CID 118655597) has the molecular formula C56H60Br2N2 and a molecular weight of 920.92 g/mol. Its IUPAC name is 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine.

Molecular Properties

Compound Name4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
PubChem CID118655597
Molecular FormulaC56H60Br2N2
Molecular Weight920.92 g/mol
Exact Mass918.31
IUPAC Name4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
SMILESCCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1
InChIInChI=1S/C56H60Br2N2/c1-7-9-13-41-31-37(3)53(38(4)32-41)59(45-19-15-43(57)16-20-45)47-23-25-49-50-26-24-48(36-52(50)56-29-11-27-55(56,28-12-30-56)51(49)35-47)60(46-21-17-44(58)18-22-46)54-39(5)33-42(14-10-8-2)34-40(54)6/h15-26,31-36H,7-14,27-30H2,1-6H3
InChIKeyJDNNUASATFTEKB-UHFFFAOYSA-N
XLogP17.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.92
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 144946897
CID 144946897
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
CID 134392992
4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-diphenylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
CID 160662491
bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene
CID 158161687
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
2-N,6-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4,8-bis(2-ethylhexyl)-2-N,6-N-bis(4-methylphenyl)naphthalene-2,6-diamine;2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,10-dioctylphenanthrene-2,7-diamine;4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;2-N,7-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9,9,10,10-tetramethyl-2-N,7-N-bis(4-methylphenyl)phenanthrene-2,7-diamine
CID 160672496
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,7-N-bis(4-hexyl-2,6-dimethylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine
CID 118048522
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
(1S,14R)-16-(aminomethyl)-4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-19-methylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
CID 163604430
4,11-dibromopentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
CID 22278002
CID 89038222
CID 89038222
4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene
CID 158206312

Frequently Asked Questions

What is the IUPAC name of 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine?
The IUPAC name of 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine (CID 118655597) is 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine.
What is the SMILES notation for 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine?
The canonical SMILES for 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine is CCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(Br)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.
What is the InChIKey of 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine?
The InChIKey is JDNNUASATFTEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60Br2N2/c1-7-9-13-41-31-37(3)53(38(4)32-41)59(45-19-15-43(57)16-20-45)47-23-25-49-50-26-24-48(36-52(50)56-29-11-27-55(56,28-12-30-56)51(49)35-47)60(46-21-17-44(58)18-22-46)54-39(5)33-42(14-10-8-2)34-40(54)6/h15-26,31-36H,7-14,27-30H2,1-6H3.
What are the key properties of 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine?
4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine has a molecular weight of 920.92 g/mol, XLogP of 17.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine is sourced from PubChem (CID 118655597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).