1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

C61H41N3 — CID 168750848

IUPAC1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5cccc-4c53)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41N3/c1-5-18-42(19-6-1)43-32-34-47(35-33-43)62(48-37-39-57-53(40-48)51-26-13-15-29-56(51)63(57)45-22-9-3-10-23-45)49-36-38-50-52-27-17-31-59-60(52)61(55(50)41-49,44-20-7-2-8-21-44)54-28-14-16-30-58(54)64(59)46-24-11-4-12-25-46/h1-41H
InChIKeyLVQBXIMSWSXZJZ-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.07
Rot. Bonds7

About 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (PubChem CID 168750848) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.

Molecular Properties

Compound Name1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
PubChem CID168750848
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5cccc-4c53)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41N3/c1-5-18-42(19-6-1)43-32-34-47(35-33-43)62(48-37-39-57-53(40-48)51-26-13-15-29-56(51)63(57)45-22-9-3-10-23-45)49-36-38-50-52-27-17-31-59-60(52)61(55(50)41-49,44-20-7-2-8-21-44)54-28-14-16-30-58(54)64(59)46-24-11-4-12-25-46/h1-41H
InChIKeyLVQBXIMSWSXZJZ-UHFFFAOYSA-N
XLogP16.07
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine with MolForge

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Related Compounds

9,9-diphenyl-N-(4-phenylphenyl)-N-[2-(9,9,10-triphenylacridin-3-yl)phenyl]fluoren-2-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline
CID 158038335
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647

Frequently Asked Questions

What is the IUPAC name of 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The IUPAC name of 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (CID 168750848) is 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.
What is the SMILES notation for 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The canonical SMILES for 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5cccc-4c53)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The InChIKey is LVQBXIMSWSXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-5-18-42(19-6-1)43-32-34-47(35-33-43)62(48-37-39-57-53(40-48)51-26-13-15-29-56(51)63(57)45-22-9-3-10-23-45)49-36-38-50-52-27-17-31-59-60(52)61(55(50)41-49,44-20-7-2-8-21-44)54-28-14-16-30-58(54)64(59)46-24-11-4-12-25-46/h1-41H.
What are the key properties of 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine has a molecular weight of 816.02 g/mol, XLogP of 16.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 168750848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).