3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C116H90N2 — CID 161038802

IUPAC3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5c6c(cc7ccccc57)C(C)(C)c5ccccc5-6)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H49N.C55H41N/c1-59(2)51-23-12-9-20-46(51)48-32-30-43(36-54(48)59)62(44-31-33-49-47-21-10-13-24-52(47)60(3,4)55(49)37-44)42-28-26-38(27-29-42)39-17-15-18-41(34-39)57-45-19-8-7-16-40(45)35-56-58(57)50-22-11-14-25-53(50)61(56,5)6;1-55(2)51-23-12-11-22-50(51)54-52(55)37-45-18-9-10-21-49(45)53(54)43-26-24-42(25-27-43)44-19-13-20-48(36-44)56(46-32-28-40(29-33-46)38-14-5-3-6-15-38)47-34-30-41(31-35-47)39-16-7-4-8-17-39/h7-37H,1-6H3;3-37H,1-2H3
InChIKeyUAPLLSCFWRAUEE-UHFFFAOYSA-N
MW1512.01 g/mol
LogP31.85
Rot. Bonds12

About 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 161038802) has the molecular formula C116H90N2 and a molecular weight of 1512.01 g/mol. Its IUPAC name is 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID161038802
Molecular FormulaC116H90N2
Molecular Weight1512.01 g/mol
Exact Mass1510.71
IUPAC Name3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5c6c(cc7ccccc57)C(C)(C)c5ccccc5-6)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H49N.C55H41N/c1-59(2)51-23-12-9-20-46(51)48-32-30-43(36-54(48)59)62(44-31-33-49-47-21-10-13-24-52(47)60(3,4)55(49)37-44)42-28-26-38(27-29-42)39-17-15-18-41(34-39)57-45-19-8-7-16-40(45)35-56-58(57)50-22-11-14-25-53(50)61(56,5)6;1-55(2)51-23-12-11-22-50(51)54-52(55)37-45-18-9-10-21-49(45)53(54)43-26-24-42(25-27-43)44-19-13-20-48(36-44)56(46-32-28-40(29-33-46)38-14-5-3-6-15-38)47-34-30-41(31-35-47)39-16-7-4-8-17-39/h7-37H,1-6H3;3-37H,1-2H3
InChIKeyUAPLLSCFWRAUEE-UHFFFAOYSA-N
XLogP31.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001512.01
LogP ≤ 531.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 139430695
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
9,9-dimethyl-N-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100131
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170675737
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370

Frequently Asked Questions

What is the IUPAC name of 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 161038802) is 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5c6c(cc7ccccc57)C(C)(C)c5ccccc5-6)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is UAPLLSCFWRAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N.C55H41N/c1-59(2)51-23-12-9-20-46(51)48-32-30-43(36-54(48)59)62(44-31-33-49-47-21-10-13-24-52(47)60(3,4)55(49)37-44)42-28-26-38(27-29-42)39-17-15-18-41(34-39)57-45-19-8-7-16-40(45)35-56-58(57)50-22-11-14-25-53(50)61(56,5)6;1-55(2)51-23-12-11-22-50(51)54-52(55)37-45-18-9-10-21-49(45)53(54)43-26-24-42(25-27-43)44-19-13-20-48(36-44)56(46-32-28-40(29-33-46)38-14-5-3-6-15-38)47-34-30-41(31-35-47)39-16-7-4-8-17-39/h7-37H,1-6H3;3-37H,1-2H3.
What are the key properties of 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1512.01 g/mol, XLogP of 31.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 161038802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).