N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine

C100H68N4 — CID 165001412

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c(c4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3c4cc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4ccc32)cc1
InChIInChI=1S/2C50H34N2/c1-3-14-36(15-4-1)44-21-9-11-24-47(44)52-48-25-12-10-22-45(48)50-46-34-41(32-28-38(46)29-33-49(50)52)51(39-18-5-2-6-19-39)40-30-26-37(27-31-40)43-23-13-17-35-16-7-8-20-42(35)43;1-3-12-35(13-4-1)36-22-28-41(29-23-36)51(42-30-24-38(25-31-42)45-20-11-15-37-14-7-8-18-44(37)45)43-32-26-39-27-33-49-50(47(39)34-43)46-19-9-10-21-48(46)52(49)40-16-5-2-6-17-40/h2*1-34H
InChIKeyIHOBXYIVYWZYBQ-UHFFFAOYSA-N
MW1325.67 g/mol
LogP27.79
Rot. Bonds12

About N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine

N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine (PubChem CID 165001412) has the molecular formula C100H68N4 and a molecular weight of 1325.67 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
PubChem CID165001412
Molecular FormulaC100H68N4
Molecular Weight1325.67 g/mol
Exact Mass1324.54
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c(c4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3c4cc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4ccc32)cc1
InChIInChI=1S/2C50H34N2/c1-3-14-36(15-4-1)44-21-9-11-24-47(44)52-48-25-12-10-22-45(48)50-46-34-41(32-28-38(46)29-33-49(50)52)51(39-18-5-2-6-19-39)40-30-26-37(27-31-40)43-23-13-17-35-16-7-8-20-42(35)43;1-3-12-35(13-4-1)36-22-28-41(29-23-36)51(42-30-24-38(25-31-42)45-20-11-15-37-14-7-8-18-44(37)45)43-32-26-39-27-33-49-50(47(39)34-43)46-19-9-10-21-48(46)52(49)40-16-5-2-6-17-40/h2*1-34H
InChIKeyIHOBXYIVYWZYBQ-UHFFFAOYSA-N
XLogP27.79
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms104
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.67
LogP ≤ 527.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine (CID 165001412) is N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c(c4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3c4cc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine?
The InChIKey is IHOBXYIVYWZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H34N2/c1-3-14-36(15-4-1)44-21-9-11-24-47(44)52-48-25-12-10-22-45(48)50-46-34-41(32-28-38(46)29-33-49(50)52)51(39-18-5-2-6-19-39)40-30-26-37(27-31-40)43-23-13-17-35-16-7-8-20-42(35)43;1-3-12-35(13-4-1)36-22-28-41(29-23-36)51(42-30-24-38(25-31-42)45-20-11-15-37-14-7-8-18-44(37)45)43-32-26-39-27-33-49-50(47(39)34-43)46-19-9-10-21-48(46)52(49)40-16-5-2-6-17-40/h2*1-34H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine has a molecular weight of 1325.67 g/mol, XLogP of 27.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine is sourced from PubChem (CID 165001412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).