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

C39H25N5 — CID 90062827

IUPAC3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3nc(-c4ccccn4)c4ccccc4n3)c2)cc1
InChIInChI=1S/C39H25N5/c1-2-12-28(13-3-1)43-22-20-26-24-37-32(25-36(26)43)30-15-5-7-19-35(30)44(37)29-14-10-11-27(23-29)39-41-33-17-6-4-16-31(33)38(42-39)34-18-8-9-21-40-34/h1-25H
InChIKeyLBWPTZZKRCMWMM-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.40
Rot. Bonds4

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

3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole (PubChem CID 90062827) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
PubChem CID90062827
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3nc(-c4ccccn4)c4ccccc4n3)c2)cc1
InChIInChI=1S/C39H25N5/c1-2-12-28(13-3-1)43-22-20-26-24-37-32(25-36(26)43)30-15-5-7-19-35(30)44(37)29-14-10-11-27(23-29)39-41-33-17-6-4-16-31(33)38(42-39)34-18-8-9-21-40-34/h1-25H
InChIKeyLBWPTZZKRCMWMM-UHFFFAOYSA-N
XLogP9.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062811
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-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 90267588
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-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 90223606
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780
9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 160841836
10-(2,6-dipyridin-2-yl-4-pyridinyl)-16-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 90223602
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 90062799

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole?
The IUPAC name of 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole (CID 90062827) is 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole?
The canonical SMILES for 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3nc(-c4ccccn4)c4ccccc4n3)c2)cc1.
What is the InChIKey of 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole?
The InChIKey is LBWPTZZKRCMWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-2-12-28(13-3-1)43-22-20-26-24-37-32(25-36(26)43)30-15-5-7-19-35(30)44(37)29-14-10-11-27(23-29)39-41-33-17-6-4-16-31(33)38(42-39)34-18-8-9-21-40-34/h1-25H.
What are the key properties of 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole?
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole has a molecular weight of 563.66 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 90062827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).