3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole

C44H29N3 — CID 118315311

IUPAC3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)c3c2)cc1
InChIInChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-36-35-15-7-9-17-40(35)47(43(36)29-31)34-22-20-33(21-23-34)46-41-18-10-8-16-37(41)44-38-27-28-45(32-13-5-2-6-14-32)39(38)25-26-42(44)46/h1-29H
InChIKeyXIWIGJQENBOFFJ-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.49
Rot. Bonds4

About 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole

3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole (PubChem CID 118315311) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
PubChem CID118315311
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)c3c2)cc1
InChIInChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-36-35-15-7-9-17-40(35)47(43(36)29-31)34-22-20-33(21-23-34)46-41-18-10-8-16-37(41)44-38-27-28-45(32-13-5-2-6-14-32)39(38)25-26-42(44)46/h1-29H
InChIKeyXIWIGJQENBOFFJ-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

3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-17-phenyl-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223134
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
6-carbazol-9-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9,14-triphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157256630
17-phenyl-9-[4-(5-phenylpyrimidin-2-yl)phenyl]-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223464
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole?
The IUPAC name of 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole (CID 118315311) is 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole?
The canonical SMILES for 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)c3c2)cc1.
What is the InChIKey of 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole?
The InChIKey is XIWIGJQENBOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-36-35-15-7-9-17-40(35)47(43(36)29-31)34-22-20-33(21-23-34)46-41-18-10-8-16-37(41)44-38-27-28-45(32-13-5-2-6-14-32)39(38)25-26-42(44)46/h1-29H.
What are the key properties of 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole?
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]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 3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 118315311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).