4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole

C52H34N2 — CID 146262872

IUPAC4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cccc43)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-16-35(17-4-1)38-32-39(36-18-5-2-6-19-36)34-40(33-38)53-47-27-11-9-23-44(47)51-42(25-14-30-49(51)53)43-26-15-31-50-52(43)45-24-10-12-28-48(45)54(50)46-29-13-21-37-20-7-8-22-41(37)46/h1-34H
InChIKeyLMHMGKKIQXMQQP-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole

4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 146262872) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
PubChem CID146262872
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cccc43)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-16-35(17-4-1)38-32-39(36-18-5-2-6-19-36)34-40(33-38)53-47-27-11-9-23-44(47)51-42(25-14-30-49(51)53)43-26-15-31-50-52(43)45-24-10-12-28-48(45)54(50)46-29-13-21-37-20-7-8-22-41(37)46/h1-34H
InChIKeyLMHMGKKIQXMQQP-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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
CID 118318953
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
9-(4-carbazol-9-ylphenyl)-14-[4-(3,5-diphenylphenyl)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;9-(4-carbazol-9-ylphenyl)-14-naphthalen-1-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;14-(3,5-diphenylphenyl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-(3,5-diphenylphenyl)-14-[4-(3,5-diphenylphenyl)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;9-(3,5-diphenylphenyl)-14-(4-phenylnaphthalen-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-(3,5-diphenylphenyl)-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
CID 160632859
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660105
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
4-dibenzothiophen-1-yl-9-[3-(4-dibenzothiophen-1-ylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 118262679

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole (CID 146262872) is 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cccc43)c2)cc1.
What is the InChIKey of 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is LMHMGKKIQXMQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-16-35(17-4-1)38-32-39(36-18-5-2-6-19-36)34-40(33-38)53-47-27-11-9-23-44(47)51-42(25-14-30-49(51)53)43-26-15-31-50-52(43)45-24-10-12-28-48(45)54(50)46-29-13-21-37-20-7-8-22-41(37)46/h1-34H.
What are the key properties of 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole?
4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 146262872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).