3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole

C45H29N5 — CID 90090906

IUPAC3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)n4)c23)cc1
InChIInChI=1S/C45H29N5/c1-3-12-30(13-4-1)47-28-26-36-38(47)24-22-34-32-16-7-9-18-40(32)49(44(34)36)42-20-11-21-43(46-42)50-41-19-10-8-17-33(41)35-23-25-39-37(45(35)50)27-29-48(39)31-14-5-2-6-15-31/h1-29H
InChIKeyKQHWVFSHFYHYGS-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.16
Rot. Bonds4

About 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole

3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole (PubChem CID 90090906) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
PubChem CID90090906
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)n4)c23)cc1
InChIInChI=1S/C45H29N5/c1-3-12-30(13-4-1)47-28-26-36-38(47)24-22-34-32-16-7-9-18-40(32)49(44(34)36)42-20-11-21-43(46-42)50-41-19-10-8-17-33(41)35-23-25-39-37(45(35)50)27-29-48(39)31-14-5-2-6-15-31/h1-29H
InChIKeyKQHWVFSHFYHYGS-UHFFFAOYSA-N
XLogP11.16
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
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-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-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 90267349
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
23-(4,6-diphenylpyrimidin-2-yl)-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-decaene
CID 90267453
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole (CID 90090906) is 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)n4)c23)cc1.
What is the InChIKey of 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole?
The InChIKey is KQHWVFSHFYHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-12-30(13-4-1)47-28-26-36-38(47)24-22-34-32-16-7-9-18-40(32)49(44(34)36)42-20-11-21-43(46-42)50-41-19-10-8-17-33(41)35-23-25-39-37(45(35)50)27-29-48(39)31-14-5-2-6-15-31/h1-29H.
What are the key properties of 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole?
3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90090906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).