1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole

C44H29N3 — CID 118315161

IUPAC1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)c4)c3c2)cc1
InChIInChI=1S/C44H29N3/c1-3-12-30(13-4-1)32-23-24-38-36-18-7-9-20-40(36)46(42(38)28-32)34-16-11-17-35(29-34)47-41-21-10-8-19-37(41)39-25-22-31-26-27-45(43(31)44(39)47)33-14-5-2-6-15-33/h1-29H
InChIKeyVXFKYKFGVFIKOE-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.49
Rot. Bonds4

About 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 118315161) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
PubChem CID118315161
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)c4)c3c2)cc1
InChIInChI=1S/C44H29N3/c1-3-12-30(13-4-1)32-23-24-38-36-18-7-9-20-40(36)46(42(38)28-32)34-16-11-17-35(29-34)47-41-21-10-8-19-37(41)39-25-22-31-26-27-45(43(31)44(39)47)33-14-5-2-6-15-33/h1-29H
InChIKeyVXFKYKFGVFIKOE-UHFFFAOYSA-N
XLogP11.49
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 130233154
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315801
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole (CID 118315161) is 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)c4)c3c2)cc1.
What is the InChIKey of 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is VXFKYKFGVFIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-12-30(13-4-1)32-23-24-38-36-18-7-9-20-40(36)46(42(38)28-32)34-16-11-17-35(29-34)47-41-21-10-8-19-37(41)39-25-22-31-26-27-45(43(31)44(39)47)33-14-5-2-6-15-33/h1-29H.
What are the key properties of 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).