N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C60H41N3 — CID 129208384

IUPACN-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N2c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3-c3c(n(-c4ccccc4)c4ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C60H41N3/c1-4-19-47(20-5-1)61(55-30-16-18-45-17-10-11-25-51(45)55)50-38-35-43(36-39-50)42-31-33-44(34-32-42)46-37-40-58-54(41-46)59-52-26-12-14-28-56(52)63(49-23-8-3-9-24-49)60(59)53-27-13-15-29-57(53)62(58)48-21-6-2-7-22-48/h1-41H
InChIKeyLFNOGTMBRUFJNA-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.70
Rot. Bonds7

About N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 129208384) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID129208384
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N2c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3-c3c(n(-c4ccccc4)c4ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C60H41N3/c1-4-19-47(20-5-1)61(55-30-16-18-45-17-10-11-25-51(45)55)50-38-35-43(36-39-50)42-31-33-44(34-32-42)46-37-40-58-54(41-46)59-52-26-12-14-28-56(52)63(49-23-8-3-9-24-49)60(59)53-27-13-15-29-57(53)62(58)48-21-6-2-7-22-48/h1-41H
InChIKeyLFNOGTMBRUFJNA-UHFFFAOYSA-N
XLogP16.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129208110
N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
CID 129208279
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-naphthalen-1-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092334
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789650
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 129208384) is N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N2c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3-c3c(n(-c4ccccc4)c4ccccc34)-c3ccccc32)cc1.
What is the InChIKey of N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is LFNOGTMBRUFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-19-47(20-5-1)61(55-30-16-18-45-17-10-11-25-51(45)55)50-38-35-43(36-39-50)42-31-33-44(34-32-42)46-37-40-58-54(41-46)59-52-26-12-14-28-56(52)63(49-23-8-3-9-24-49)60(59)53-27-13-15-29-57(53)62(58)48-21-6-2-7-22-48/h1-41H.
What are the key properties of N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 804.01 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 129208384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).