3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole

C58H42N2 — CID 163710464

IUPAC3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC=C3)cc1
InChIInChI=1S/C58H42N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-6,8-21,23-36H,7,22H2,1-2H3
InChIKeyKITRGJPAYPPMDJ-UHFFFAOYSA-N
MW766.99 g/mol
LogP15.61
Rot. Bonds5

About 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole

3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole (PubChem CID 163710464) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
PubChem CID163710464
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC Name3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC=C3)cc1
InChIInChI=1S/C58H42N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-6,8-21,23-36H,7,22H2,1-2H3
InChIKeyKITRGJPAYPPMDJ-UHFFFAOYSA-N
XLogP15.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[4-[6-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,10-diphenylanthracen-2-yl]-2,5-dimethylphenyl]carbazole;9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(4-phenanthren-1-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 160718540
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole (CID 163710464) is 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC=C3)cc1.
What is the InChIKey of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole?
The InChIKey is KITRGJPAYPPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-6,8-21,23-36H,7,22H2,1-2H3.
What are the key properties of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole?
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole has a molecular weight of 766.99 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 163710464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).