10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole

C50H33N3 — CID 144815944

IUPAC10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C50H33N3/c1-4-15-34(16-5-1)38-23-14-24-39(35-17-6-2-7-18-35)49(38)53-47-26-13-11-22-41(47)44-33-37(27-29-48(44)53)52-46-25-12-10-21-40(46)42-28-30-45-43(50(42)52)31-32-51(45)36-19-8-3-9-20-36/h1-33H
InChIKeyHILPAPNYRYLCRZ-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.16
Rot. Bonds5

About 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole

10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 144815944) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID144815944
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C50H33N3/c1-4-15-34(16-5-1)38-23-14-24-39(35-17-6-2-7-18-35)49(38)53-47-26-13-11-22-41(47)44-33-37(27-29-48(44)53)52-46-25-12-10-21-40(46)42-28-30-45-43(50(42)52)31-32-51(45)36-19-8-3-9-20-36/h1-33H
InChIKeyHILPAPNYRYLCRZ-UHFFFAOYSA-N
XLogP13.16
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
3-phenyl-10-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90371613
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
14-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267242
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454

Frequently Asked Questions

What is the IUPAC name of 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole (CID 144815944) is 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)ccc32)cc1.
What is the InChIKey of 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is HILPAPNYRYLCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-4-15-34(16-5-1)38-23-14-24-39(35-17-6-2-7-18-35)49(38)53-47-26-13-11-22-41(47)44-33-37(27-29-48(44)53)52-46-25-12-10-21-40(46)42-28-30-45-43(50(42)52)31-32-51(45)36-19-8-3-9-20-36/h1-33H.
What are the key properties of 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole?
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 675.84 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 144815944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).