9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole

C106H71N9 — CID 159357327

IUPAC9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c6cc54)nc4ccccc34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4ccccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C55H38N4.C51H33N5/c1-55(2)45-27-15-12-24-39(45)40-31-30-37(32-46(40)55)52-42-26-13-16-28-47(42)56-54(57-52)59-48-29-17-14-25-41(48)43-33-44-50(34-49(43)59)58(38-22-10-5-11-23-38)53(36-20-8-4-9-21-36)51(44)35-18-6-3-7-19-35;1-4-16-35(17-5-1)48-42-32-41-39-22-11-13-26-45(39)56(46(41)33-47(42)55(38-20-8-3-9-21-38)50(48)37-18-6-2-7-19-37)51-53-44-25-12-10-23-40(44)49(54-51)36-29-27-34(28-30-36)43-24-14-15-31-52-43/h3-34H,1-2H3;1-33H
InChIKeyLIBZQVBWVULWLW-UHFFFAOYSA-N
MW1470.80 g/mol
LogP26.71
Rot. Bonds11

About 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole

9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole (PubChem CID 159357327) has the molecular formula C106H71N9 and a molecular weight of 1470.80 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole
PubChem CID159357327
Molecular FormulaC106H71N9
Molecular Weight1470.80 g/mol
Exact Mass1469.58
IUPAC Name9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c6cc54)nc4ccccc34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4ccccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C55H38N4.C51H33N5/c1-55(2)45-27-15-12-24-39(45)40-31-30-37(32-46(40)55)52-42-26-13-16-28-47(42)56-54(57-52)59-48-29-17-14-25-41(48)43-33-44-50(34-49(43)59)58(38-22-10-5-11-23-38)53(36-20-8-4-9-21-36)51(44)35-18-6-3-7-19-35;1-4-16-35(17-5-1)48-42-32-41-39-22-11-13-26-45(39)56(46(41)33-47(42)55(38-20-8-3-9-21-38)50(48)37-18-6-2-7-19-37)51-53-44-25-12-10-23-40(44)49(54-51)36-29-27-34(28-30-36)43-24-14-15-31-52-43/h3-34H,1-2H3;1-33H
InChIKeyLIBZQVBWVULWLW-UHFFFAOYSA-N
XLogP26.71
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.80
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole with MolForge

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Related Compounds

9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-2-(2-ethenylphenyl)-3-methyl-1-phenylpyrrolo[2,3-b]carbazole
CID 146397159
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
CID 118317505
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
CID 163733291
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
5-[11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-[11-(4-naphthalen-1-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-(11-phenylbenzo[a]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 159898026

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole?
The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole (CID 159357327) is 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c6cc54)nc4ccccc34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4ccccn4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole?
The InChIKey is LIBZQVBWVULWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4.C51H33N5/c1-55(2)45-27-15-12-24-39(45)40-31-30-37(32-46(40)55)52-42-26-13-16-28-47(42)56-54(57-52)59-48-29-17-14-25-41(48)43-33-44-50(34-49(43)59)58(38-22-10-5-11-23-38)53(36-20-8-4-9-21-36)51(44)35-18-6-3-7-19-35;1-4-16-35(17-5-1)48-42-32-41-39-22-11-13-26-45(39)56(46(41)33-47(42)55(38-20-8-3-9-21-38)50(48)37-18-6-2-7-19-37)51-53-44-25-12-10-23-40(44)49(54-51)36-29-27-34(28-30-36)43-24-14-15-31-52-43/h3-34H,1-2H3;1-33H.
What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole?
9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole has a molecular weight of 1470.80 g/mol, XLogP of 26.71, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 159357327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).