N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine

C30H19ClN2O2 — CID 154697324

IUPACN-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine
SMILESClc1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2
InChIInChI=1S/C30H19ClN2O2/c31-22-13-5-6-14-23(22)32-24-18-21-20-12-4-7-15-25(20)33(19-10-2-1-3-11-19)28(21)30-29(24)34-26-16-8-9-17-27(26)35-30/h1-18,32H
InChIKeySOGQYHAOFLPQLC-UHFFFAOYSA-N
MW474.95 g/mol
LogP9.08
Rot. Bonds3

About N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine

N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine (PubChem CID 154697324) has the molecular formula C30H19ClN2O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine
PubChem CID154697324
Molecular FormulaC30H19ClN2O2
Molecular Weight474.95 g/mol
Exact Mass474.11
IUPAC NameN-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine
SMILESClc1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2
InChIInChI=1S/C30H19ClN2O2/c31-22-13-5-6-14-23(22)32-24-18-21-20-12-4-7-15-25(20)33(19-10-2-1-3-11-19)28(21)30-29(24)34-26-16-8-9-17-27(26)35-30/h1-18,32H
InChIKeySOGQYHAOFLPQLC-UHFFFAOYSA-N
XLogP9.08
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
CID 154697323
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177084601
2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol
CID 121419413
19-(3-phenylphenyl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560221
17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
CID 126589976
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
CID 169305047
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145390349
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441937
12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062
N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
CID 130279544
1,3-dichloro-9-(4-fluorophenyl)carbazole
CID 156704575

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine?
The IUPAC name of N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine (CID 154697324) is N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine.
What is the SMILES notation for N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine?
The canonical SMILES for N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine is Clc1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2.
What is the InChIKey of N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine?
The InChIKey is SOGQYHAOFLPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2O2/c31-22-13-5-6-14-23(22)32-24-18-21-20-12-4-7-15-25(20)33(19-10-2-1-3-11-19)28(21)30-29(24)34-26-16-8-9-17-27(26)35-30/h1-18,32H.
What are the key properties of N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine?
N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine has a molecular weight of 474.95 g/mol, XLogP of 9.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine is sourced from PubChem (CID 154697324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).