3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole

C150H112N4 — CID 159087841

IUPAC3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc34)cc21
InChIInChI=1S/C80H56N2.C70H56N2/c1-79(2)69-27-15-11-23-57(69)59-37-33-53(47-71(59)79)77-63-39-31-50(52-36-42-76-66(44-52)62-26-14-18-30-74(62)82(76)56-21-9-6-10-22-56)46-68(63)78(54-34-38-60-58-24-12-16-28-70(58)80(3,4)72(60)48-54)64-40-32-49(45-67(64)77)51-35-41-75-65(43-51)61-25-13-17-29-73(61)81(75)55-19-7-5-8-20-55;1-69(2,3)51-33-25-45(26-34-51)67-57-37-29-48(50-32-40-66-60(42-50)56-22-14-16-24-64(56)72(66)54-19-11-8-12-20-54)44-62(57)68(46-27-35-52(36-28-46)70(4,5)6)58-38-30-47(43-61(58)67)49-31-39-65-59(41-49)55-21-13-15-23-63(55)71(65)53-17-9-7-10-18-53/h5-48H,1-4H3;7-44H,1-6H3
InChIKeyKBRBLFHSFHVUOR-UHFFFAOYSA-N
MW1970.57 g/mol
LogP40.92
Rot. Bonds12

About 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole

3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole (PubChem CID 159087841) has the molecular formula C150H112N4 and a molecular weight of 1970.57 g/mol. Its IUPAC name is 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
PubChem CID159087841
Molecular FormulaC150H112N4
Molecular Weight1970.57 g/mol
Exact Mass1968.89
IUPAC Name3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc34)cc21
InChIInChI=1S/C80H56N2.C70H56N2/c1-79(2)69-27-15-11-23-57(69)59-37-33-53(47-71(59)79)77-63-39-31-50(52-36-42-76-66(44-52)62-26-14-18-30-74(62)82(76)56-21-9-6-10-22-56)46-68(63)78(54-34-38-60-58-24-12-16-28-70(58)80(3,4)72(60)48-54)64-40-32-49(45-67(64)77)51-35-41-75-65(43-51)61-25-13-17-29-73(61)81(75)55-19-7-5-8-20-55;1-69(2,3)51-33-25-45(26-34-51)67-57-37-29-48(50-32-40-66-60(42-50)56-22-14-16-24-64(56)72(66)54-19-11-8-12-20-54)44-62(57)68(46-27-35-52(36-28-46)70(4,5)6)58-38-30-47(43-61(58)67)49-31-39-65-59(41-49)55-21-13-15-23-63(55)71(65)53-17-9-7-10-18-53/h5-48H,1-4H3;7-44H,1-6H3
InChIKeyKBRBLFHSFHVUOR-UHFFFAOYSA-N
XLogP40.92
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.57
LogP ≤ 540.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(2-naphthalen-2-ylphenyl)anthracene;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 158112140
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703

Frequently Asked Questions

What is the IUPAC name of 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole (CID 159087841) is 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole is CC(C)(C)c1ccc(-c2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc34)cc21.
What is the InChIKey of 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole?
The InChIKey is KBRBLFHSFHVUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N2.C70H56N2/c1-79(2)69-27-15-11-23-57(69)59-37-33-53(47-71(59)79)77-63-39-31-50(52-36-42-76-66(44-52)62-26-14-18-30-74(62)82(76)56-21-9-6-10-22-56)46-68(63)78(54-34-38-60-58-24-12-16-28-70(58)80(3,4)72(60)48-54)64-40-32-49(45-67(64)77)51-35-41-75-65(43-51)61-25-13-17-29-73(61)81(75)55-19-7-5-8-20-55;1-69(2,3)51-33-25-45(26-34-51)67-57-37-29-48(50-32-40-66-60(42-50)56-22-14-16-24-64(56)72(66)54-19-11-8-12-20-54)44-62(57)68(46-27-35-52(36-28-46)70(4,5)6)58-38-30-47(43-61(58)67)49-31-39-65-59(41-49)55-21-13-15-23-63(55)71(65)53-17-9-7-10-18-53/h5-48H,1-4H3;7-44H,1-6H3.
What are the key properties of 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole?
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole has a molecular weight of 1970.57 g/mol, XLogP of 40.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 159087841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).