12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole

C54H36N4 — CID 123460055

IUPAC12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESC1=CC2c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-15-35(16-4-1)55-46-23-11-8-20-40(46)44-33-37(27-30-50(44)55)57-49-26-14-10-22-43(49)53-52(57)32-29-42-39-19-7-13-25-48(39)58(54(42)53)38-28-31-51-45(34-38)41-21-9-12-24-47(41)56(51)36-17-5-2-6-18-36/h1-34,41,47H
InChIKeyVMNRKSZONGFHBY-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.71
Rot. Bonds4

About 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole

12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (PubChem CID 123460055) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
PubChem CID123460055
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESC1=CC2c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-15-35(16-4-1)55-46-23-11-8-20-40(46)44-33-37(27-30-50(44)55)57-49-26-14-10-22-43(49)53-52(57)32-29-42-39-19-7-13-25-48(39)58(54(42)53)38-28-31-51-45(34-38)41-21-9-12-24-47(41)56(51)36-17-5-2-6-18-36/h1-34,41,47H
InChIKeyVMNRKSZONGFHBY-UHFFFAOYSA-N
XLogP13.71
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
12-phenyl-5-[3-[6-[6-[6-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]indolo[3,2-c]carbazole
CID 170208043
1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 135191733
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944

Frequently Asked Questions

What is the IUPAC name of 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The IUPAC name of 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (CID 123460055) is 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is C1=CC2c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The InChIKey is VMNRKSZONGFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-15-35(16-4-1)55-46-23-11-8-20-40(46)44-33-37(27-30-50(44)55)57-49-26-14-10-22-43(49)53-52(57)32-29-42-39-19-7-13-25-48(39)58(54(42)53)38-28-31-51-45(34-38)41-21-9-12-24-47(41)56(51)36-17-5-2-6-18-36/h1-34,41,47H.
What are the key properties of 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 123460055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).