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

C44H29N3 — CID 118315232

IUPAC3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-42-38(27-31)36-15-7-9-17-40(36)46(42)34-20-22-35(23-21-34)47-41-18-10-8-16-37(41)39-29-43-32(28-44(39)47)25-26-45(43)33-13-5-2-6-14-33/h1-29H
InChIKeyNZLUENMNDIAHDP-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.49
Rot. Bonds4

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

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole (PubChem CID 118315232) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
PubChem CID118315232
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-42-38(27-31)36-15-7-9-17-40(36)46(42)34-20-22-35(23-21-34)47-41-18-10-8-16-37(41)39-29-43-32(28-44(39)47)25-26-45(43)33-13-5-2-6-14-33/h1-29H
InChIKeyNZLUENMNDIAHDP-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

N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-(3-anthracen-2-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-anthracen-2-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-anthracen-9-yl-3-phenylpyrrolo[3,2-b]carbazole
CID 158194801
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole?
The IUPAC name of 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole (CID 118315232) is 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole?
The canonical SMILES for 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole?
The InChIKey is NZLUENMNDIAHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-11-30(12-4-1)31-19-24-42-38(27-31)36-15-7-9-17-40(36)46(42)34-20-22-35(23-21-34)47-41-18-10-8-16-37(41)39-29-43-32(28-44(39)47)25-26-45(43)33-13-5-2-6-14-33/h1-29H.
What are the key properties of 3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole?
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]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-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 118315232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).