3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C140H90N6 — CID 158986267

IUPAC3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/2C50H32N2.C40H26N2/c1-2-13-33(14-3-1)34-16-12-17-38(29-34)51-46-23-10-8-21-42(46)44-30-35(25-27-48(44)51)36-26-28-49-45(31-36)43-22-9-11-24-47(43)52(49)50-32-37-15-4-5-18-39(37)40-19-6-7-20-41(40)50;1-2-12-33(13-3-1)34-22-26-38(27-23-34)51-46-20-10-8-18-42(46)44-30-35(24-28-48(44)51)36-25-29-49-45(31-36)43-19-9-11-21-47(43)52(49)50-32-37-14-4-5-15-39(37)40-16-6-7-17-41(40)50;1-2-13-30(14-3-1)41-37-18-8-6-16-32(37)34-25-28(21-23-39(34)41)29-22-24-40-35(26-29)33-17-7-9-19-38(33)42(40)36-20-10-12-27-11-4-5-15-31(27)36/h2*1-32H;1-26H
InChIKeyJPPLKXNHERCDLJ-UHFFFAOYSA-N
MW1856.30 g/mol
LogP37.74
Rot. Bonds11

About 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 158986267) has the molecular formula C140H90N6 and a molecular weight of 1856.30 g/mol. Its IUPAC name is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID158986267
Molecular FormulaC140H90N6
Molecular Weight1856.30 g/mol
Exact Mass1854.72
IUPAC Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/2C50H32N2.C40H26N2/c1-2-13-33(14-3-1)34-16-12-17-38(29-34)51-46-23-10-8-21-42(46)44-30-35(25-27-48(44)51)36-26-28-49-45(31-36)43-22-9-11-24-47(43)52(49)50-32-37-15-4-5-18-39(37)40-19-6-7-20-41(40)50;1-2-12-33(13-3-1)34-22-26-38(27-23-34)51-46-20-10-8-18-42(46)44-30-35(24-28-48(44)51)36-25-29-49-45(31-36)43-19-9-11-21-47(43)52(49)50-32-37-14-4-5-15-39(37)40-16-6-7-17-41(40)50;1-2-13-30(14-3-1)41-37-18-8-6-16-32(37)34-25-28(21-23-39(34)41)29-22-24-40-35(26-29)33-17-7-9-19-38(33)42(40)36-20-10-12-27-11-4-5-15-31(27)36/h2*1-32H;1-26H
InChIKeyJPPLKXNHERCDLJ-UHFFFAOYSA-N
XLogP37.74
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001856.30
LogP ≤ 537.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-3-yl)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-phenanthren-9-yl-14-[4-(9-phenylcarbazol-3-yl)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
CID 159135255
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole;5-naphthalen-2-yl-12-[3-(9-phenylcarbazol-2-yl)phenyl]indolo[3,2-c]carbazole;5-phenanthren-9-yl-12-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159952176
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
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
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161134789
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
2-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;2-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 165003485
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 158986267) is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is JPPLKXNHERCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N2.C40H26N2/c1-2-13-33(14-3-1)34-16-12-17-38(29-34)51-46-23-10-8-21-42(46)44-30-35(25-27-48(44)51)36-26-28-49-45(31-36)43-22-9-11-24-47(43)52(49)50-32-37-15-4-5-18-39(37)40-19-6-7-20-41(40)50;1-2-12-33(13-3-1)34-22-26-38(27-23-34)51-46-20-10-8-18-42(46)44-30-35(24-28-48(44)51)36-25-29-49-45(31-36)43-19-9-11-21-47(43)52(49)50-32-37-14-4-5-15-39(37)40-16-6-7-17-41(40)50;1-2-13-30(14-3-1)41-37-18-8-6-16-32(37)34-25-28(21-23-39(34)41)29-22-24-40-35(26-29)33-17-7-9-19-38(33)42(40)36-20-10-12-27-11-4-5-15-31(27)36/h2*1-32H;1-26H.
What are the key properties of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 1856.30 g/mol, XLogP of 37.74, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158986267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).