9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole

C46H36N4 — CID 123482745

IUPAC9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole
SMILESC1=NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC/C1=C1\CCC(C2=CC=C3C(C2)c2ccccc2N3c2ccccc2)=NC1
InChIInChI=1S/C46H36N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-18,21-23,25-27,29,40H,19-20,24,28,30H2/b34-33-
InChIKeyFBTKNTGAPQCUMS-YHZPTAEISA-N
MW644.82 g/mol
LogP11.28
Rot. Bonds4

About 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole

9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole (PubChem CID 123482745) has the molecular formula C46H36N4 and a molecular weight of 644.82 g/mol. Its IUPAC name is 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole
PubChem CID123482745
Molecular FormulaC46H36N4
Molecular Weight644.82 g/mol
Exact Mass644.29
IUPAC Name9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole
SMILESC1=NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC/C1=C1\CCC(C2=CC=C3C(C2)c2ccccc2N3c2ccccc2)=NC1
InChIInChI=1S/C46H36N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-18,21-23,25-27,29,40H,19-20,24,28,30H2/b34-33-
InChIKeyFBTKNTGAPQCUMS-YHZPTAEISA-N
XLogP11.28
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole 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

9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)-4,4a-dihydrocarbazol-3-yl]carbazole
CID 156560409
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-4,4a-dihydrocarbazol-3-yl]carbazole
CID 142352978
9-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)-5-(4-cyclohexa-1,3-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-3-(9-phenyl-4,4a-dihydrocarbazol-3-yl)carbazole
CID 137469159
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 167186001
(1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine
CID 144888530
8-[5-[3-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-9,9a-dihydropyrido[4,3-b]indol-8-yl]-5-phenylpyrido[4,3-b]indole
CID 130180479
CID 123226858
CID 123226858
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
12-phenyl-5-(4-phenylphenyl)-7,7a-dihydroindolo[3,2-c]carbazole
CID 134556780
[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane
CID 147806531

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole (CID 123482745) is 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole is C1=NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC/C1=C1\CCC(C2=CC=C3C(C2)c2ccccc2N3c2ccccc2)=NC1.
What is the InChIKey of 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole?
The InChIKey is FBTKNTGAPQCUMS-YHZPTAEISA-N. The full InChI is InChI=1S/C46H36N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-18,21-23,25-27,29,40H,19-20,24,28,30H2/b34-33-.
What are the key properties of 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole?
9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole has a molecular weight of 644.82 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[(5Z)-5-[6-(9-phenyl-4,4a-dihydrocarbazol-3-yl)-4,5-dihydro-2H-pyridin-3-ylidene]-4H-pyridin-2-yl]carbazole is sourced from PubChem (CID 123482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).