N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

C35H30N2 — CID 166967012

IUPACN-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCC(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1-c1ccccc1Nc1ccc2c(c1)CC2
InChIInChI=1S/C35H30N2/c1-22(2)28-17-14-25(26-15-18-35-32(21-26)30-8-4-6-10-34(30)37-35)20-31(28)29-7-3-5-9-33(29)36-27-16-13-23-11-12-24(23)19-27/h3-10,13-22,36-37H,11-12H2,1-2H3
InChIKeyUHPLQSXHRAYWNS-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.62
Rot. Bonds5

About N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (PubChem CID 166967012) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.

Molecular Properties

Compound NameN-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
PubChem CID166967012
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC NameN-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCC(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1-c1ccccc1Nc1ccc2c(c1)CC2
InChIInChI=1S/C35H30N2/c1-22(2)28-17-14-25(26-15-18-35-32(21-26)30-8-4-6-10-34(30)37-35)20-31(28)29-7-3-5-9-33(29)36-27-16-13-23-11-12-24(23)19-27/h3-10,13-22,36-37H,11-12H2,1-2H3
InChIKeyUHPLQSXHRAYWNS-UHFFFAOYSA-N
XLogP9.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The IUPAC name of N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (CID 166967012) is N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.
What is the SMILES notation for N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The canonical SMILES for N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is CC(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1-c1ccccc1Nc1ccc2c(c1)CC2.
What is the InChIKey of N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The InChIKey is UHPLQSXHRAYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-22(2)28-17-14-25(26-15-18-35-32(21-26)30-8-4-6-10-34(30)37-35)20-31(28)29-7-3-5-9-33(29)36-27-16-13-23-11-12-24(23)19-27/h3-10,13-22,36-37H,11-12H2,1-2H3.
What are the key properties of N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine has a molecular weight of 478.64 g/mol, XLogP of 9.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is sourced from PubChem (CID 166967012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).