3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole

C114H86N2 — CID 160737474

IUPAC3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(C)c(C)cc45)cc3)ccc21.CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(-c7cccc(C)c7)cc6c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc(-c7cccc(C)c7)cc56)cc4)cc3)ccc21
InChIInChI=1S/C72H53N.C42H33N/c1-4-73-69-19-9-8-18-63(69)66-44-60(38-41-70(66)73)55-26-24-52(25-27-55)54-30-34-57(35-31-54)72-65-40-37-61(58-16-10-12-47(2)42-58)45-67(65)71(64-39-36-62(46-68(64)72)59-17-11-13-48(3)43-59)56-32-28-53(29-33-56)51-22-20-50(21-23-51)49-14-6-5-7-15-49;1-4-43-39-17-11-10-14-33(39)36-26-32(22-23-40(36)43)29-18-20-31(21-19-29)42-35-16-9-8-15-34(35)41(30-12-6-5-7-13-30)37-24-27(2)28(3)25-38(37)42/h5-46H,4H2,1-3H3;5-26H,4H2,1-3H3
InChIKeyRVDMIUNEWZYNPR-UHFFFAOYSA-N
MW1483.96 g/mol
LogP31.81
Rot. Bonds13

About 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole

3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole (PubChem CID 160737474) has the molecular formula C114H86N2 and a molecular weight of 1483.96 g/mol. Its IUPAC name is 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole
PubChem CID160737474
Molecular FormulaC114H86N2
Molecular Weight1483.96 g/mol
Exact Mass1482.68
IUPAC Name3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(C)c(C)cc45)cc3)ccc21.CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(-c7cccc(C)c7)cc6c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc(-c7cccc(C)c7)cc56)cc4)cc3)ccc21
InChIInChI=1S/C72H53N.C42H33N/c1-4-73-69-19-9-8-18-63(69)66-44-60(38-41-70(66)73)55-26-24-52(25-27-55)54-30-34-57(35-31-54)72-65-40-37-61(58-16-10-12-47(2)42-58)45-67(65)71(64-39-36-62(46-68(64)72)59-17-11-13-48(3)43-59)56-32-28-53(29-33-56)51-22-20-50(21-23-51)49-14-6-5-7-15-49;1-4-43-39-17-11-10-14-33(39)36-26-32(22-23-40(36)43)29-18-20-31(21-19-29)42-35-16-9-8-15-34(35)41(30-12-6-5-7-13-30)37-24-27(2)28(3)25-38(37)42/h5-46H,4H2,1-3H3;5-26H,4H2,1-3H3
InChIKeyRVDMIUNEWZYNPR-UHFFFAOYSA-N
XLogP31.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.96
LogP ≤ 531.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole
CID 163991225
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole
CID 158234538
3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole
CID 159993393
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
CID 129257085
2-[6-[4-[2,6-dimethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9-ethylcarbazol-3-yl]-2-methylpropanenitrile
CID 163956469
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 159034254

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole?
The IUPAC name of 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole (CID 160737474) is 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole.
What is the SMILES notation for 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole?
The canonical SMILES for 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(C)c(C)cc45)cc3)ccc21.CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(-c7cccc(C)c7)cc6c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc(-c7cccc(C)c7)cc56)cc4)cc3)ccc21.
What is the InChIKey of 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole?
The InChIKey is RVDMIUNEWZYNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53N.C42H33N/c1-4-73-69-19-9-8-18-63(69)66-44-60(38-41-70(66)73)55-26-24-52(25-27-55)54-30-34-57(35-31-54)72-65-40-37-61(58-16-10-12-47(2)42-58)45-67(65)71(64-39-36-62(46-68(64)72)59-17-11-13-48(3)43-59)56-32-28-53(29-33-56)51-22-20-50(21-23-51)49-14-6-5-7-15-49;1-4-43-39-17-11-10-14-33(39)36-26-32(22-23-40(36)43)29-18-20-31(21-19-29)42-35-16-9-8-15-34(35)41(30-12-6-5-7-13-30)37-24-27(2)28(3)25-38(37)42/h5-46H,4H2,1-3H3;5-26H,4H2,1-3H3.
What are the key properties of 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole?
3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole has a molecular weight of 1483.96 g/mol, XLogP of 31.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole is sourced from PubChem (CID 160737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).