10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole

C44H28N2 — CID 150701377

IUPAC10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc8ccccc8c7c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C44H28N2/c1-2-11-31(12-3-1)46-42-17-9-8-16-37(42)38-26-30(20-25-43(38)46)33-22-21-32(35-14-6-7-15-36(33)35)29-19-23-40-39(27-29)44-34-13-5-4-10-28(34)18-24-41(44)45-40/h1-27,45H
InChIKeyJLYNEMXXOUTABM-UHFFFAOYSA-N
MW584.72 g/mol
LogP12.06
Rot. Bonds3

About 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole

10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole (PubChem CID 150701377) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole.

Molecular Properties

Compound Name10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
PubChem CID150701377
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc8ccccc8c7c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C44H28N2/c1-2-11-31(12-3-1)46-42-17-9-8-16-37(42)38-26-30(20-25-43(38)46)33-22-21-32(35-14-6-7-15-36(33)35)29-19-23-40-39(27-29)44-34-13-5-4-10-28(34)18-24-41(44)45-40/h1-27,45H
InChIKeyJLYNEMXXOUTABM-UHFFFAOYSA-N
XLogP12.06
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 512.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 162231540
5-(7H-benzo[c]carbazol-10-yl)-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301025
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
CID 155114077
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 139336780
9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 121246572
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole?
The IUPAC name of 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole (CID 150701377) is 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole.
What is the SMILES notation for 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole?
The canonical SMILES for 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc8ccccc8c7c6c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole?
The InChIKey is JLYNEMXXOUTABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-11-31(12-3-1)46-42-17-9-8-16-37(42)38-26-30(20-25-43(38)46)33-22-21-32(35-14-6-7-15-36(33)35)29-19-23-40-39(27-29)44-34-13-5-4-10-28(34)18-24-41(44)45-40/h1-27,45H.
What are the key properties of 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole?
10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole has a molecular weight of 584.72 g/mol, XLogP of 12.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole is sourced from PubChem (CID 150701377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).