N-(9H-carbazol-3-ylmethyl)-N-phenylaniline

C25H20N2 — CID 139544092

IUPACN-(9H-carbazol-3-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2ccc3[nH]c4ccccc4c3c2)c2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-3-9-20(10-4-1)27(21-11-5-2-6-12-21)18-19-15-16-25-23(17-19)22-13-7-8-14-24(22)26-25/h1-17,26H,18H2
InChIKeyMESVNSKYWYITDT-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.66
Rot. Bonds4

About N-(9H-carbazol-3-ylmethyl)-N-phenylaniline

N-(9H-carbazol-3-ylmethyl)-N-phenylaniline (PubChem CID 139544092) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(9H-carbazol-3-ylmethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(9H-carbazol-3-ylmethyl)-N-phenylaniline
PubChem CID139544092
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC NameN-(9H-carbazol-3-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2ccc3[nH]c4ccccc4c3c2)c2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-3-9-20(10-4-1)27(21-11-5-2-6-12-21)18-19-15-16-25-23(17-19)22-13-7-8-14-24(22)26-25/h1-17,26H,18H2
InChIKeyMESVNSKYWYITDT-UHFFFAOYSA-N
XLogP6.66
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
9H-carbazol-3-ylmethanamine
CID 42281639
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
3-(3-bromopropyl)-9H-carbazole
CID 174889385
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 126567892
9H-carbazole
CID 66668984
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
2-amino-3-(9H-carbazol-3-yl)propanoic acid
CID 67140438
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
2-[2-(9H-carbazol-3-yl)ethyl]guanidine
CID 145315534

Frequently Asked Questions

What is the IUPAC name of N-(9H-carbazol-3-ylmethyl)-N-phenylaniline?
The IUPAC name of N-(9H-carbazol-3-ylmethyl)-N-phenylaniline (CID 139544092) is N-(9H-carbazol-3-ylmethyl)-N-phenylaniline.
What is the SMILES notation for N-(9H-carbazol-3-ylmethyl)-N-phenylaniline?
The canonical SMILES for N-(9H-carbazol-3-ylmethyl)-N-phenylaniline is c1ccc(N(Cc2ccc3[nH]c4ccccc4c3c2)c2ccccc2)cc1.
What is the InChIKey of N-(9H-carbazol-3-ylmethyl)-N-phenylaniline?
The InChIKey is MESVNSKYWYITDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-3-9-20(10-4-1)27(21-11-5-2-6-12-21)18-19-15-16-25-23(17-19)22-13-7-8-14-24(22)26-25/h1-17,26H,18H2.
What are the key properties of N-(9H-carbazol-3-ylmethyl)-N-phenylaniline?
N-(9H-carbazol-3-ylmethyl)-N-phenylaniline has a molecular weight of 348.45 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-carbazol-3-ylmethyl)-N-phenylaniline is sourced from PubChem (CID 139544092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).