9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole

C47H35N3 — CID 138613107

IUPAC9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(n(C3=CC(c4cc(-c5ccccc5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)=CCC3)c3ccccc23)CC1
InChIInChI=1S/C47H35N3/c1-2-14-32(15-3-1)35-30-42(33-16-12-18-36(28-33)49-44-24-8-4-20-38(44)39-21-5-9-25-45(39)49)48-43(31-35)34-17-13-19-37(29-34)50-46-26-10-6-22-40(46)41-23-7-11-27-47(41)50/h1-10,12,14-18,20-26,28-31H,11,13,19,27H2
InChIKeyDXAAFEPGZYLAMN-UHFFFAOYSA-N
MW641.82 g/mol
LogP12.15
Rot. Bonds5

About 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole

9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole (PubChem CID 138613107) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole
PubChem CID138613107
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(n(C3=CC(c4cc(-c5ccccc5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)=CCC3)c3ccccc23)CC1
InChIInChI=1S/C47H35N3/c1-2-14-32(15-3-1)35-30-42(33-16-12-18-36(28-33)49-44-24-8-4-20-38(44)39-21-5-9-25-45(39)49)48-43(31-35)34-17-13-19-37(29-34)50-46-26-10-6-22-40(46)41-23-7-11-27-47(41)50/h1-10,12,14-18,20-26,28-31H,11,13,19,27H2
InChIKeyDXAAFEPGZYLAMN-UHFFFAOYSA-N
XLogP12.15
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[3-[4-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163561990
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole (CID 138613107) is 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole is C1=Cc2c(n(C3=CC(c4cc(-c5ccccc5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)=CCC3)c3ccccc23)CC1.
What is the InChIKey of 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole?
The InChIKey is DXAAFEPGZYLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-2-14-32(15-3-1)35-30-42(33-16-12-18-36(28-33)49-44-24-8-4-20-38(44)39-21-5-9-25-45(39)49)48-43(31-35)34-17-13-19-37(29-34)50-46-26-10-6-22-40(46)41-23-7-11-27-47(41)50/h1-10,12,14-18,20-26,28-31H,11,13,19,27H2.
What are the key properties of 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole?
9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole has a molecular weight of 641.82 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 138613107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).