N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline

C37H27NO — CID 70344376

IUPACN,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
SMILESC1=CC(c2ccccc2)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1ccccc21
InChIInChI=1S/C37H27NO/c1-4-13-30(14-5-1)37(27-26-29-21-20-28-12-10-11-19-35(28)36(29)39-37)31-22-24-34(25-23-31)38(32-15-6-2-7-16-32)33-17-8-3-9-18-33/h1-27H
InChIKeyNOEDJTIVUNVDCR-UHFFFAOYSA-N
MW501.63 g/mol
LogP9.66
Rot. Bonds5

About N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline

N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline (PubChem CID 70344376) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
PubChem CID70344376
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC NameN,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
SMILESC1=CC(c2ccccc2)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1ccccc21
InChIInChI=1S/C37H27NO/c1-4-13-30(14-5-1)37(27-26-29-21-20-28-12-10-11-19-35(28)36(29)39-37)31-22-24-34(25-23-31)38(32-15-6-2-7-16-32)33-17-8-3-9-18-33/h1-27H
InChIKeyNOEDJTIVUNVDCR-UHFFFAOYSA-N
XLogP9.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10792750
CID 10792750
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
CID 169032361
(2,2-diphenylbenzo[h]chromen-6-yl)methanol
CID 132567770
19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
CID 170219409
4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline
CID 102508230
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
2,2,5-triphenylbenzo[h]chromene
CID 13007765
N,N-diphenyl-4-(18,21,21-trimethyl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-5-yl)aniline
CID 170015507
3-[4-(azepan-1-yl)phenyl]-N,N,3-triphenylbenzo[f]chromen-8-amine
CID 22277973
CID 10527161
CID 10527161
8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
CID 101081523

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline (CID 70344376) is N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline is C1=CC(c2ccccc2)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1ccccc21.
What is the InChIKey of N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline?
The InChIKey is NOEDJTIVUNVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-4-13-30(14-5-1)37(27-26-29-21-20-28-12-10-11-19-35(28)36(29)39-37)31-22-24-34(25-23-31)38(32-15-6-2-7-16-32)33-17-8-3-9-18-33/h1-27H.
What are the key properties of N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline?
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline has a molecular weight of 501.63 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline is sourced from PubChem (CID 70344376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).