9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole

C50H40N4 — CID 163762586

IUPAC9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
SMILESCC1=Cc2c(n(-c3ccc(-c4cncc(-c5cncc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)c5)c4)cc3)c3ccc(C)cc23)CC1
InChIInChI=1S/C50H40N4/c1-31-5-17-47-43(21-31)44-22-32(2)6-18-48(44)53(47)41-13-9-35(10-14-41)37-25-39(29-51-27-37)40-26-38(28-52-30-40)36-11-15-42(16-12-36)54-49-19-7-33(3)23-45(49)46-24-34(4)8-20-50(46)54/h5-7,9-19,21-30H,8,20H2,1-4H3
InChIKeyLZLXUEAWDKMLLZ-UHFFFAOYSA-N
MW696.90 g/mol
LogP12.79
Rot. Bonds5

About 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole

9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 163762586) has the molecular formula C50H40N4 and a molecular weight of 696.90 g/mol. Its IUPAC name is 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
PubChem CID163762586
Molecular FormulaC50H40N4
Molecular Weight696.90 g/mol
Exact Mass696.33
IUPAC Name9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
SMILESCC1=Cc2c(n(-c3ccc(-c4cncc(-c5cncc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)c5)c4)cc3)c3ccc(C)cc23)CC1
InChIInChI=1S/C50H40N4/c1-31-5-17-47-43(21-31)44-22-32(2)6-18-48(44)53(47)41-13-9-35(10-14-41)37-25-39(29-51-27-37)40-26-38(28-52-30-40)36-11-15-42(16-12-36)54-49-19-7-33(3)23-45(49)46-24-34(4)8-20-50(46)54/h5-7,9-19,21-30H,8,20H2,1-4H3
InChIKeyLZLXUEAWDKMLLZ-UHFFFAOYSA-N
XLogP12.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313
[4-[9-[4-[5-[4-[3,6-bis(4-trimethylsilylphenyl)carbazol-9-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-trimethylsilylphenyl)carbazol-3-yl]phenyl]-trimethylsilane
CID 59372037
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
5-[3,5-bis[3,5-dicyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]-2,4,6-triphenylphenyl]-2-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155030513
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
9-[4-(5-methyl-3-pyridinyl)phenyl]carbazole
CID 58151158
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole (CID 163762586) is 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole is CC1=Cc2c(n(-c3ccc(-c4cncc(-c5cncc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)c5)c4)cc3)c3ccc(C)cc23)CC1.
What is the InChIKey of 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is LZLXUEAWDKMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4/c1-31-5-17-47-43(21-31)44-22-32(2)6-18-48(44)53(47)41-13-9-35(10-14-41)37-25-39(29-51-27-37)40-26-38(28-52-30-40)36-11-15-42(16-12-36)54-49-19-7-33(3)23-45(49)46-24-34(4)8-20-50(46)54/h5-7,9-19,21-30H,8,20H2,1-4H3.
What are the key properties of 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole?
9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 696.90 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163762586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).