3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole

C51H34N2 — CID 130351529

IUPAC3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole
SMILESCc1cc(-c2ccccc2)ccc1-n1c2ccccc2c2cc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C51H34N2/c1-33-29-37(34-11-3-2-4-12-34)21-26-46(33)53-47-17-9-7-15-43(47)45-32-39(22-27-49(45)53)38-20-25-42-40(30-38)23-28-50-51(42)44-16-8-10-18-48(44)52(50)41-24-19-35-13-5-6-14-36(35)31-41/h2-32H,1H3
InChIKeyZJBFYZKVAFYWOB-UHFFFAOYSA-N
MW674.85 g/mol
LogP13.83
Rot. Bonds4

About 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole

3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole (PubChem CID 130351529) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole
PubChem CID130351529
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole
SMILESCc1cc(-c2ccccc2)ccc1-n1c2ccccc2c2cc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C51H34N2/c1-33-29-37(34-11-3-2-4-12-34)21-26-46(33)53-47-17-9-7-15-43(47)45-32-39(22-27-49(45)53)38-20-25-42-40(30-38)23-28-50-51(42)44-16-8-10-18-48(44)52(50)41-24-19-35-13-5-6-14-36(35)31-41/h2-32H,1H3
InChIKeyZJBFYZKVAFYWOB-UHFFFAOYSA-N
XLogP13.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene
CID 145064060
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9,14-dinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-naphthalen-2-yl-11-(4-naphthalen-2-ylphenyl)indolo[2,3-a]carbazole;12-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-11-[4-(4-naphthalen-2-ylphenyl)phenyl]indolo[2,3-a]carbazole;9-naphthalen-2-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(3-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-[4-(6-phenylnaphthalen-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(6-phenylnaphthalen-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 157341055

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole?
The IUPAC name of 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole (CID 130351529) is 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole.
What is the SMILES notation for 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole?
The canonical SMILES for 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole is Cc1cc(-c2ccccc2)ccc1-n1c2ccccc2c2cc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccc5ccccc5c4)c3)ccc21.
What is the InChIKey of 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole?
The InChIKey is ZJBFYZKVAFYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-33-29-37(34-11-3-2-4-12-34)21-26-46(33)53-47-17-9-7-15-43(47)45-32-39(22-27-49(45)53)38-20-25-42-40(30-38)23-28-50-51(42)44-16-8-10-18-48(44)52(50)41-24-19-35-13-5-6-14-36(35)31-41/h2-32H,1H3.
What are the key properties of 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole?
3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole has a molecular weight of 674.85 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole is sourced from PubChem (CID 130351529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).