7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine

C60H52N2 — CID 144690392

IUPAC7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(C)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C60H52N2/c1-5-8-9-16-37-60(4)56-40-50(61(48-17-12-10-13-18-48)49-19-14-11-15-20-49)31-33-52(56)53-34-32-51(41-57(53)60)62-58-35-29-46(44-25-21-42(6-2)22-26-44)38-54(58)55-39-47(30-36-59(55)62)45-27-23-43(7-3)24-28-45/h6-7,10-15,17-36,38-41H,2-3,5,8-9,16,37H2,1,4H3
InChIKeyOTZRJYMRPAQGJN-UHFFFAOYSA-N
MW801.09 g/mol
LogP17.13
Rot. Bonds13

About 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine (PubChem CID 144690392) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
PubChem CID144690392
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC Name7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(C)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C60H52N2/c1-5-8-9-16-37-60(4)56-40-50(61(48-17-12-10-13-18-48)49-19-14-11-15-20-49)31-33-52(56)53-34-32-51(41-57(53)60)62-58-35-29-46(44-25-21-42(6-2)22-26-44)38-54(58)55-39-47(30-36-59(55)62)45-27-23-43(7-3)24-28-45/h6-7,10-15,17-36,38-41H,2-3,5,8-9,16,37H2,1,4H3
InChIKeyOTZRJYMRPAQGJN-UHFFFAOYSA-N
XLogP17.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 144690426
9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690360
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118879563
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
7-carbazol-9-yl-9,9-bis[(4-ethenylphenyl)methyl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690386
2-N,8-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-2-N,8-N-bis(4-phenylphenyl)-11,11-dipropylbenzo[b]fluorene-2,8-diamine
CID 118049301
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine (CID 144690392) is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(C)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine?
The InChIKey is OTZRJYMRPAQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-5-8-9-16-37-60(4)56-40-50(61(48-17-12-10-13-18-48)49-19-14-11-15-20-49)31-33-52(56)53-34-32-51(41-57(53)60)62-58-35-29-46(44-25-21-42(6-2)22-26-44)38-54(58)55-39-47(30-36-59(55)62)45-27-23-43(7-3)24-28-45/h6-7,10-15,17-36,38-41H,2-3,5,8-9,16,37H2,1,4H3.
What are the key properties of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine?
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine has a molecular weight of 801.09 g/mol, XLogP of 17.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 144690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).