9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole

C66H44N4 — CID 70669587

IUPAC9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-n4c(-c5ccc6ccccc6c5)cc5cc6c(cc(-c7ccc8ccccc8c7)n6-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc54)cc3)C2C=C1
InChIInChI=1S/C66H44N4/c1-3-15-45-37-47(27-25-43(45)13-1)63-39-49-41-66-50(42-65(49)69(63)53-33-29-51(30-34-53)67-59-21-9-5-17-55(59)56-18-6-10-22-60(56)67)40-64(48-28-26-44-14-2-4-16-46(44)38-48)70(66)54-35-31-52(32-36-54)68-61-23-11-7-19-57(61)58-20-8-12-24-62(58)68/h1-42,55,59H
InChIKeyAHMXPERIVALUHO-UHFFFAOYSA-N
MW893.11 g/mol
LogP17.04
Rot. Bonds6

About 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole

9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole (PubChem CID 70669587) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
PubChem CID70669587
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC Name9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-n4c(-c5ccc6ccccc6c5)cc5cc6c(cc(-c7ccc8ccccc8c7)n6-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc54)cc3)C2C=C1
InChIInChI=1S/C66H44N4/c1-3-15-45-37-47(27-25-43(45)13-1)63-39-49-41-66-50(42-65(49)69(63)53-33-29-51(30-34-53)67-59-21-9-5-17-55(59)56-18-6-10-22-60(56)67)40-64(48-28-26-44-14-2-4-16-46(44)38-48)70(66)54-35-31-52(32-36-54)68-61-23-11-7-19-57(61)58-20-8-12-24-62(58)68/h1-42,55,59H
InChIKeyAHMXPERIVALUHO-UHFFFAOYSA-N
XLogP17.04
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
N-[4-[4-(8,10a-dihydro-5aH-cyclohepta[b]indol-5-yl)phenyl]phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]anthracen-2-amine
CID 142105126
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 163728955
5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-7-(4-carbazol-9-ylphenyl)-6H-1,4-diazepine-2,3-dicarbonitrile
CID 71158640
5-[8-[3-(4a,9a-dihydrocarbazol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile
CID 139335376

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole (CID 70669587) is 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole is C1=CC2c3ccccc3N(c3ccc(-n4c(-c5ccc6ccccc6c5)cc5cc6c(cc(-c7ccc8ccccc8c7)n6-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc54)cc3)C2C=C1.
What is the InChIKey of 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole?
The InChIKey is AHMXPERIVALUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-3-15-45-37-47(27-25-43(45)13-1)63-39-49-41-66-50(42-65(49)69(63)53-33-29-51(30-34-53)67-59-21-9-5-17-55(59)56-18-6-10-22-60(56)67)40-64(48-28-26-44-14-2-4-16-46(44)38-48)70(66)54-35-31-52(32-36-54)68-61-23-11-7-19-57(61)58-20-8-12-24-62(58)68/h1-42,55,59H.
What are the key properties of 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole?
9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole has a molecular weight of 893.11 g/mol, XLogP of 17.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole is sourced from PubChem (CID 70669587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).