4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline

C68H48N2 — CID 122694647

IUPAC4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1cccc2cccc(-c3ccc(-n4c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5c5cc(-c6cccc7cccc(-c8ccccc8)c67)ccc54)cc3C)c12
InChIInChI=1S/C68H48N2/c1-43-39-52(69)33-35-54(43)60-29-13-23-49-24-14-30-61(68(49)60)55-36-34-53(40-44(55)2)70-64-37-31-50(58-27-11-21-47-19-9-25-56(66(47)58)45-15-5-3-6-16-45)41-62(64)63-42-51(32-38-65(63)70)59-28-12-22-48-20-10-26-57(67(48)59)46-17-7-4-8-18-46/h3-42H,69H2,1-2H3
InChIKeyLYYSCSPYNFMJRV-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.44
Rot. Bonds7

About 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline

4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline (PubChem CID 122694647) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline
PubChem CID122694647
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1cccc2cccc(-c3ccc(-n4c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5c5cc(-c6cccc7cccc(-c8ccccc8)c67)ccc54)cc3C)c12
InChIInChI=1S/C68H48N2/c1-43-39-52(69)33-35-54(43)60-29-13-23-49-24-14-30-61(68(49)60)55-36-34-53(40-44(55)2)70-64-37-31-50(58-27-11-21-47-19-9-25-56(66(47)58)45-15-5-3-6-16-45)41-62(64)63-42-51(32-38-65(63)70)59-28-12-22-48-20-10-26-57(67(48)59)46-17-7-4-8-18-46/h3-42H,69H2,1-2H3
InChIKeyLYYSCSPYNFMJRV-UHFFFAOYSA-N
XLogP18.44
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[8-[4-[1,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]phenyl]naphthalen-1-yl]aniline
CID 122694649
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186
3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90321705
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
4-[9-(4-phenylphenyl)carbazol-3-yl]-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118565132
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
CID 166084545
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline?
The IUPAC name of 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline (CID 122694647) is 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline.
What is the SMILES notation for 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline?
The canonical SMILES for 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline is Cc1cc(N)ccc1-c1cccc2cccc(-c3ccc(-n4c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5c5cc(-c6cccc7cccc(-c8ccccc8)c67)ccc54)cc3C)c12.
What is the InChIKey of 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline?
The InChIKey is LYYSCSPYNFMJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-43-39-52(69)33-35-54(43)60-29-13-23-49-24-14-30-61(68(49)60)55-36-34-53(40-44(55)2)70-64-37-31-50(58-27-11-21-47-19-9-25-56(66(47)58)45-15-5-3-6-16-45)41-62(64)63-42-51(32-38-65(63)70)59-28-12-22-48-20-10-26-57(67(48)59)46-17-7-4-8-18-46/h3-42H,69H2,1-2H3.
What are the key properties of 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline?
4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline has a molecular weight of 893.15 g/mol, XLogP of 18.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline is sourced from PubChem (CID 122694647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).