N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole

C132H87N7OS2 — CID 160875323

IUPACN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)ccc2-c2c1ccc1ccccc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7oc(-c8ccccc8)nc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c43)s2)cc1
InChIInChI=1S/C46H32N2S.C43H27N3O.C43H28N2S/c1-46(2)39-25-19-29-11-9-10-16-36(29)43(39)38-24-22-35(28-40(38)46)48(33-14-7-4-8-15-33)34-21-23-37-32(27-34)18-17-30-20-26-41-44(42(30)37)47-45(49-41)31-12-5-3-6-13-31;1-4-10-28(11-5-1)29-16-18-31(19-17-29)38-27-37(30-12-6-2-7-13-30)44-42(45-38)35-22-24-36-34(26-35)21-20-32-23-25-39-41(40(32)36)46-43(47-39)33-14-8-3-9-15-33;1-3-10-32(11-4-1)43-44-42-40(46-43)26-21-31-15-16-35-27-34(20-25-39(35)41(31)42)30-17-22-37(23-18-30)45(36-13-5-2-6-14-36)38-24-19-29-9-7-8-12-33(29)28-38/h3-28H,1-2H3;1-27H;1-28H
InChIKeySMHVHFPUVPDCFQ-UHFFFAOYSA-N
MW1851.33 g/mol
LogP37.02
Rot. Bonds14

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole (PubChem CID 160875323) has the molecular formula C132H87N7OS2 and a molecular weight of 1851.33 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole.

Molecular Properties

Compound NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole
PubChem CID160875323
Molecular FormulaC132H87N7OS2
Molecular Weight1851.33 g/mol
Exact Mass1849.64
IUPAC NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)ccc2-c2c1ccc1ccccc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7oc(-c8ccccc8)nc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c43)s2)cc1
InChIInChI=1S/C46H32N2S.C43H27N3O.C43H28N2S/c1-46(2)39-25-19-29-11-9-10-16-36(29)43(39)38-24-22-35(28-40(38)46)48(33-14-7-4-8-15-33)34-21-23-37-32(27-34)18-17-30-20-26-41-44(42(30)37)47-45(49-41)31-12-5-3-6-13-31;1-4-10-28(11-5-1)29-16-18-31(19-17-29)38-27-37(30-12-6-2-7-13-30)44-42(45-38)35-22-24-36-34(26-35)21-20-32-23-25-39-41(40(32)36)46-43(47-39)33-14-8-3-9-15-33;1-3-10-32(11-4-1)43-44-42-40(46-43)26-21-31-15-16-35-27-34(20-25-39(35)41(31)42)30-17-22-37(23-18-30)45(36-13-5-2-6-14-36)38-24-19-29-9-7-8-12-33(29)28-38/h3-28H,1-2H3;1-27H;1-28H
InChIKeySMHVHFPUVPDCFQ-UHFFFAOYSA-N
XLogP37.02
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001851.33
LogP ≤ 537.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
CID 159412257
9,9-dimethyl-N-[4-(2-naphthalen-2-ylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]-N-phenylfluoren-2-amine
CID 171607645
9,9-dimethyl-N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
CID 167652149
9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole
CID 159319069
9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole
CID 157258466
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 161071511
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275
9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
CID 170093188
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 158811091

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole?
The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole (CID 160875323) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole.
What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole?
The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)ccc2-c2c1ccc1ccccc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7oc(-c8ccccc8)nc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c43)s2)cc1.
What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole?
The InChIKey is SMHVHFPUVPDCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S.C43H27N3O.C43H28N2S/c1-46(2)39-25-19-29-11-9-10-16-36(29)43(39)38-24-22-35(28-40(38)46)48(33-14-7-4-8-15-33)34-21-23-37-32(27-34)18-17-30-20-26-41-44(42(30)37)47-45(49-41)31-12-5-3-6-13-31;1-4-10-28(11-5-1)29-16-18-31(19-17-29)38-27-37(30-12-6-2-7-13-30)44-42(45-38)35-22-24-36-34(26-35)21-20-32-23-25-39-41(40(32)36)46-43(47-39)33-14-8-3-9-15-33;1-3-10-32(11-4-1)43-44-42-40(46-43)26-21-31-15-16-35-27-34(20-25-39(35)41(31)42)30-17-22-37(23-18-30)45(36-13-5-2-6-14-36)38-24-19-29-9-7-8-12-33(29)28-38/h3-28H,1-2H3;1-27H;1-28H.
What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole?
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole has a molecular weight of 1851.33 g/mol, XLogP of 37.02, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole is sourced from PubChem (CID 160875323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).