9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

C47H33N5 — CID 140884549

IUPAC9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESCc1ccnc(-n2c3cc(N(c4ccccc4)c4cccc(-c5ccccn5)c4)ccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C47H33N5/c1-32-26-28-49-45(29-32)52-43-25-24-42-46(38-19-8-9-21-41(38)51(42)35-16-6-3-7-17-35)47(43)39-23-22-37(31-44(39)52)50(34-14-4-2-5-15-34)36-18-12-13-33(30-36)40-20-10-11-27-48-40/h2-31H,1H3
InChIKeyJJARFLTYQXTMKE-UHFFFAOYSA-N
MW667.82 g/mol
LogP12.12
Rot. Bonds6

About 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (PubChem CID 140884549) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.

Molecular Properties

Compound Name9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
PubChem CID140884549
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESCc1ccnc(-n2c3cc(N(c4ccccc4)c4cccc(-c5ccccn5)c4)ccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C47H33N5/c1-32-26-28-49-45(29-32)52-43-25-24-42-46(38-19-8-9-21-41(38)51(42)35-16-6-3-7-17-35)47(43)39-23-22-37(31-44(39)52)50(34-14-4-2-5-15-34)36-18-12-13-33(30-36)40-20-10-11-27-48-40/h2-31H,1H3
InChIKeyJJARFLTYQXTMKE-UHFFFAOYSA-N
XLogP12.12
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine with MolForge

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Related Compounds

N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884607
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
9,14-bis(3-pyridin-2-ylphenyl)-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 118504672
N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine;N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 162236994
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
9-(4-tert-butyl-2-pyridinyl)-N-(3-isocyano-5-pyridin-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155636182
N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
CID 140933293

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The IUPAC name of 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (CID 140884549) is 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.
What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The canonical SMILES for 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is Cc1ccnc(-n2c3cc(N(c4ccccc4)c4cccc(-c5ccccn5)c4)ccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1.
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The InChIKey is JJARFLTYQXTMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-32-26-28-49-45(29-32)52-43-25-24-42-46(38-19-8-9-21-41(38)51(42)35-16-6-3-7-17-35)47(43)39-23-22-37(31-44(39)52)50(34-14-4-2-5-15-34)36-18-12-13-33(30-36)40-20-10-11-27-48-40/h2-31H,1H3.
What are the key properties of 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine has a molecular weight of 667.82 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is sourced from PubChem (CID 140884549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).