9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C50H35N3 — CID 153487388

IUPAC9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H35N3/c1-6-20-36(21-7-1)51(37-22-8-2-9-23-37)45-34-47-49(43-32-18-16-30-41(43)45)50-44-33-19-17-31-42(44)46(35-48(50)53(47)40-28-14-5-15-29-40)52(38-24-10-3-11-25-38)39-26-12-4-13-27-39/h1-35H
InChIKeyKDLLYSZYVUEHHT-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.03
Rot. Bonds7

About 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 153487388) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID153487388
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H35N3/c1-6-20-36(21-7-1)51(37-22-8-2-9-23-37)45-34-47-49(43-32-18-16-30-41(43)45)50-44-33-19-17-31-42(44)46(35-48(50)53(47)40-28-14-5-15-29-40)52(38-24-10-3-11-25-38)39-26-12-4-13-27-39/h1-35H
InChIKeyKDLLYSZYVUEHHT-UHFFFAOYSA-N
XLogP14.03
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487432
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 154593333
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
CID 167363399
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487448
9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487457
12-dibenzothiophen-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487475
15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 146540103
4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 90132616
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
5-N,5-N-bis(9-amino-7-phenylbenzo[c]carbazol-5-yl)-7-phenylbenzo[c]carbazole-5,9-diamine
CID 163997434
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 164801794

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 153487388) is 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is KDLLYSZYVUEHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-6-20-36(21-7-1)51(37-22-8-2-9-23-37)45-34-47-49(43-32-18-16-30-41(43)45)50-44-33-19-17-31-42(44)46(35-48(50)53(47)40-28-14-5-15-29-40)52(38-24-10-3-11-25-38)39-26-12-4-13-27-39/h1-35H.
What are the key properties of 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 677.85 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 153487388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).