2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine

C39H23N5O — CID 123887086

IUPAC2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)[nH]c1cccc(-c3ccc4c(c3)oc3c(-c5ccncc5)nc(-n5c6ccccc6c6ccccc65)nc34)c12
InChIInChI=1S/C39H23N5O/c1-4-12-30-28(10-1)35-25(11-7-13-31(35)41-30)24-16-17-29-34(22-24)45-38-36(23-18-20-40-21-19-23)42-39(43-37(29)38)44-32-14-5-2-8-26(32)27-9-3-6-15-33(27)44/h1-22,41H
InChIKeyKSGVLRVOZAKKKL-UHFFFAOYSA-N
MW577.65 g/mol
LogP9.84
Rot. Bonds3

About 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine

2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 123887086) has the molecular formula C39H23N5O and a molecular weight of 577.65 g/mol. Its IUPAC name is 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID123887086
Molecular FormulaC39H23N5O
Molecular Weight577.65 g/mol
Exact Mass577.19
IUPAC Name2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)[nH]c1cccc(-c3ccc4c(c3)oc3c(-c5ccncc5)nc(-n5c6ccccc6c6ccccc65)nc34)c12
InChIInChI=1S/C39H23N5O/c1-4-12-30-28(10-1)35-25(11-7-13-31(35)41-30)24-16-17-29-34(22-24)45-38-36(23-18-20-40-21-19-23)42-39(43-37(29)38)44-32-14-5-2-8-26(32)27-9-3-6-15-33(27)44/h1-22,41H
InChIKeyKSGVLRVOZAKKKL-UHFFFAOYSA-N
XLogP9.84
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]oxazol-2-amine
CID 24983254
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-2-yl]-1-(5-ethylfuran-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737683
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine
CID 663455
(2S)-3-(1H-indol-3-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoic acid
CID 663984
(2-Ethylbenzofuro[3,2-d]pyrimidin-4-yl)-L-tryptophan
CID 664982
4-N-[4-[2-[4-(1,3-benzoxazol-2-ylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 118721239
2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 663838
2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603401
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-[(5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium-11-yl)amino]butan-2-one
CID 168272431
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-[(5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium-11-yl)amino]-2-oxopropyl]propanamide
CID 168275386
1-(1-Benzofuran-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737653
2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 46205562

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine (CID 123887086) is 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)[nH]c1cccc(-c3ccc4c(c3)oc3c(-c5ccncc5)nc(-n5c6ccccc6c6ccccc65)nc34)c12.
What is the InChIKey of 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is KSGVLRVOZAKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O/c1-4-12-30-28(10-1)35-25(11-7-13-31(35)41-30)24-16-17-29-34(22-24)45-38-36(23-18-20-40-21-19-23)42-39(43-37(29)38)44-32-14-5-2-8-26(32)27-9-3-6-15-33(27)44/h1-22,41H.
What are the key properties of 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 577.65 g/mol, XLogP of 9.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-7-(9H-carbazol-4-yl)-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 123887086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).