2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline

C183H116N12 — CID 157420787

IUPAC2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4c3ccc3ccccc34)ccc21.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4c(ccc5ccccc54)n3)c2)cc1
InChIInChI=1S/C93H60N6.C90H56N6/c1-93(2)80-32-16-11-27-69(80)75-55-62(38-44-81(75)93)90-74-43-37-57-21-9-10-26-68(57)91(74)95-92(94-90)63-49-66(98-84-35-19-14-30-72(84)78-53-60(41-47-88(78)98)58-39-45-86-76(51-58)70-28-12-17-33-82(70)96(86)64-22-5-3-6-23-64)56-67(50-63)99-85-36-20-15-31-73(85)79-54-61(42-48-89(79)99)59-40-46-87-77(52-59)71-29-13-18-34-83(71)97(87)65-24-7-4-8-25-65;1-4-21-57(22-5-1)59-24-20-25-64(49-59)90-91-79-44-39-58-23-10-11-30-70(58)88(79)89(92-90)65-50-68(95-82-37-18-14-33-73(82)77-54-62(42-47-86(77)95)60-40-45-84-75(52-60)71-31-12-16-35-80(71)93(84)66-26-6-2-7-27-66)56-69(51-65)96-83-38-19-15-34-74(83)78-55-63(43-48-87(78)96)61-41-46-85-76(53-61)72-32-13-17-36-81(72)94(85)67-28-8-3-9-29-67/h3-56H,1-2H3;1-56H
InChIKeyBPJKPTSPWLTTOM-UHFFFAOYSA-N
MW2483.02 g/mol
LogP47.65
Rot. Bonds17

About 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline

2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline (PubChem CID 157420787) has the molecular formula C183H116N12 and a molecular weight of 2483.02 g/mol. Its IUPAC name is 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline.

Molecular Properties

Compound Name2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
PubChem CID157420787
Molecular FormulaC183H116N12
Molecular Weight2483.02 g/mol
Exact Mass2480.94
IUPAC Name2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4c3ccc3ccccc34)ccc21.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4c(ccc5ccccc54)n3)c2)cc1
InChIInChI=1S/C93H60N6.C90H56N6/c1-93(2)80-32-16-11-27-69(80)75-55-62(38-44-81(75)93)90-74-43-37-57-21-9-10-26-68(57)91(74)95-92(94-90)63-49-66(98-84-35-19-14-30-72(84)78-53-60(41-47-88(78)98)58-39-45-86-76(51-58)70-28-12-17-33-82(70)96(86)64-22-5-3-6-23-64)56-67(50-63)99-85-36-20-15-31-73(85)79-54-61(42-48-89(79)99)59-40-46-87-77(52-59)71-29-13-18-34-83(71)97(87)65-24-7-4-8-25-65;1-4-21-57(22-5-1)59-24-20-25-64(49-59)90-91-79-44-39-58-23-10-11-30-70(58)88(79)89(92-90)65-50-68(95-82-37-18-14-33-73(82)77-54-62(42-47-86(77)95)60-40-45-84-75(52-60)71-31-12-16-35-80(71)93(84)66-26-6-2-7-27-66)56-69(51-65)96-83-38-19-15-34-74(83)78-55-63(43-48-87(78)96)61-41-46-85-76(53-61)72-32-13-17-36-81(72)94(85)67-28-8-3-9-29-67/h3-56H,1-2H3;1-56H
InChIKeyBPJKPTSPWLTTOM-UHFFFAOYSA-N
XLogP47.65
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.02
LogP ≤ 547.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline with MolForge

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Related Compounds

1-(9,9-dimethylfluoren-3-yl)-3-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[f]quinazoline
CID 121401852
3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
CID 159795673
3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline
CID 158745072
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenylbenzo[h]quinazoline
CID 121401961
4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 157055848
4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 159811321
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
2-(9,9-dimethylfluoren-3-yl)-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;2-naphthalen-2-yl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline;2-phenyl-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159036091
3-[3-(11,11-dimethylbenzo[b]fluoren-8-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 155465595

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The IUPAC name of 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline (CID 157420787) is 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline.
What is the SMILES notation for 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The canonical SMILES for 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline is CC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4c3ccc3ccccc34)ccc21.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4c(ccc5ccccc54)n3)c2)cc1.
What is the InChIKey of 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The InChIKey is BPJKPTSPWLTTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H60N6.C90H56N6/c1-93(2)80-32-16-11-27-69(80)75-55-62(38-44-81(75)93)90-74-43-37-57-21-9-10-26-68(57)91(74)95-92(94-90)63-49-66(98-84-35-19-14-30-72(84)78-53-60(41-47-88(78)98)58-39-45-86-76(51-58)70-28-12-17-33-82(70)96(86)64-22-5-3-6-23-64)56-67(50-63)99-85-36-20-15-31-73(85)79-54-61(42-48-89(79)99)59-40-46-87-77(52-59)71-29-13-18-34-83(71)97(87)65-24-7-4-8-25-65;1-4-21-57(22-5-1)59-24-20-25-64(49-59)90-91-79-44-39-58-23-10-11-30-70(58)88(79)89(92-90)65-50-68(95-82-37-18-14-33-73(82)77-54-62(42-47-86(77)95)60-40-45-84-75(52-60)71-31-12-16-35-80(71)93(84)66-26-6-2-7-27-66)56-69(51-65)96-83-38-19-15-34-74(83)78-55-63(43-48-87(78)96)61-41-46-85-76(53-61)72-32-13-17-36-81(72)94(85)67-28-8-3-9-29-67/h3-56H,1-2H3;1-56H.
What are the key properties of 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline has a molecular weight of 2483.02 g/mol, XLogP of 47.65, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline is sourced from PubChem (CID 157420787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).