12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline

C35H22N2 — CID 89341993

IUPAC12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline
SMILESc1ccc2c(c1)ccc1c3cccnc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C35H22N2/c1-2-9-26-23(8-1)17-20-27-30-12-7-21-36-35(30)31(22-32(26)27)24-15-18-25(19-16-24)37-33-13-5-3-10-28(33)29-11-4-6-14-34(29)37/h1-22H
InChIKeyPIMGEFNXZPPHIU-UHFFFAOYSA-N
MW470.58 g/mol
LogP9.31
Rot. Bonds2

About 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline

12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline (PubChem CID 89341993) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline.

Molecular Properties

Compound Name12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline
PubChem CID89341993
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline
SMILESc1ccc2c(c1)ccc1c3cccnc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C35H22N2/c1-2-9-26-23(8-1)17-20-27-30-12-7-21-36-35(30)31(22-32(26)27)24-15-18-25(19-16-24)37-33-13-5-3-10-28(33)29-11-4-6-14-34(29)37/h1-22H
InChIKeyPIMGEFNXZPPHIU-UHFFFAOYSA-N
XLogP9.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
CID 174287405
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
10-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858517
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
9-[4-[3,6-bis(4-naphthalen-1-ylphenyl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633133

Frequently Asked Questions

What is the IUPAC name of 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline?
The IUPAC name of 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline (CID 89341993) is 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline.
What is the SMILES notation for 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline?
The canonical SMILES for 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline is c1ccc2c(c1)ccc1c3cccnc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline?
The InChIKey is PIMGEFNXZPPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2/c1-2-9-26-23(8-1)17-20-27-30-12-7-21-36-35(30)31(22-32(26)27)24-15-18-25(19-16-24)37-33-13-5-3-10-28(33)29-11-4-6-14-34(29)37/h1-22H.
What are the key properties of 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline?
12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline has a molecular weight of 470.58 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline is sourced from PubChem (CID 89341993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).