12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene

C42H29N — CID 146360669

IUPAC12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
SMILESC1=CC2C(c3ccccc31)c1c(ccc3ccccc13)N2c1ccc(-c2cc(-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C42H29N/c1-2-10-29(11-3-1)38-27-33(26-32-14-6-7-15-35(32)38)28-18-22-34(23-19-28)43-39-24-20-30-12-4-8-16-36(30)41(39)42-37-17-9-5-13-31(37)21-25-40(42)43/h1-27,39,41H
InChIKeyLAZJWOSHUAHYPB-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.01
Rot. Bonds3

About 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene

12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene (PubChem CID 146360669) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene.

Molecular Properties

Compound Name12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
PubChem CID146360669
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
SMILESC1=CC2C(c3ccccc31)c1c(ccc3ccccc13)N2c1ccc(-c2cc(-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C42H29N/c1-2-10-29(11-3-1)38-27-33(26-32-14-6-7-15-35(32)38)28-18-22-34(23-19-28)43-39-24-20-30-12-4-8-16-36(30)41(39)42-37-17-9-5-13-31(37)21-25-40(42)43/h1-27,39,41H
InChIKeyLAZJWOSHUAHYPB-UHFFFAOYSA-N
XLogP11.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene with MolForge

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Related Compounds

12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 145156407
12-(3-chloroquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 144963706
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
14-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163474560
9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 172545561
7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 130351173
1,3-diphenylphenanthrene
CID 13011098
3-(4-phenoxyphenyl)-1-phenylnaphthalene
CID 176904276
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(4-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(5-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(7-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(8-phenylnaphthalen-2-yl)phenyl]anthracene
CID 160679060
N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847729
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene?
The IUPAC name of 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene (CID 146360669) is 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene.
What is the SMILES notation for 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene?
The canonical SMILES for 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene is C1=CC2C(c3ccccc31)c1c(ccc3ccccc13)N2c1ccc(-c2cc(-c3ccccc3)c3ccccc3c2)cc1.
What is the InChIKey of 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene?
The InChIKey is LAZJWOSHUAHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-10-29(11-3-1)38-27-33(26-32-14-6-7-15-35(32)38)28-18-22-34(23-19-28)43-39-24-20-30-12-4-8-16-36(30)41(39)42-37-17-9-5-13-31(37)21-25-40(42)43/h1-27,39,41H.
What are the key properties of 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene?
12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene has a molecular weight of 547.70 g/mol, XLogP of 11.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene is sourced from PubChem (CID 146360669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).