N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine

C66H54N2 — CID 58501019

IUPACN-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine
SMILESCCc1ccc2c(c1)C1(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(CC)cc3C2(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cc(CC)ccc21
InChIInChI=1S/C66H54N2/c1-4-46-28-41-61-62(42-46)65(51-30-35-56(36-31-51)67(53-20-10-7-11-21-53)54-22-12-8-13-23-54)59-39-26-47(5-2)43-63(59)66(61,64-44-48(6-3)27-40-60(64)65)52-32-37-57(38-33-52)68(55-24-14-9-15-25-55)58-34-29-49-18-16-17-19-50(49)45-58/h7-45H,4-6H2,1-3H3
InChIKeyCNLHALWIRQYKMB-UHFFFAOYSA-N
MW875.17 g/mol
LogP16.86
Rot. Bonds11

About N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine (PubChem CID 58501019) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine
PubChem CID58501019
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC NameN-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine
SMILESCCc1ccc2c(c1)C1(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(CC)cc3C2(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cc(CC)ccc21
InChIInChI=1S/C66H54N2/c1-4-46-28-41-61-62(42-46)65(51-30-35-56(36-31-51)67(53-20-10-7-11-21-53)54-22-12-8-13-23-54)59-39-26-47(5-2)43-63(59)66(61,64-44-48(6-3)27-40-60(64)65)52-32-37-57(38-33-52)68(55-24-14-9-15-25-55)58-34-29-49-18-16-17-19-50(49)45-58/h7-45H,4-6H2,1-3H3
InChIKeyCNLHALWIRQYKMB-UHFFFAOYSA-N
XLogP16.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58795280
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
CID 164744844
5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine
CID 160623402
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
ethane;2-ethylnaphthalene
CID 90684887

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine (CID 58501019) is N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine is CCc1ccc2c(c1)C1(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(CC)cc3C2(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cc(CC)ccc21.
What is the InChIKey of N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine?
The InChIKey is CNLHALWIRQYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2/c1-4-46-28-41-61-62(42-46)65(51-30-35-56(36-31-51)67(53-20-10-7-11-21-53)54-22-12-8-13-23-54)59-39-26-47(5-2)43-63(59)66(61,64-44-48(6-3)27-40-60(64)65)52-32-37-57(38-33-52)68(55-24-14-9-15-25-55)58-34-29-49-18-16-17-19-50(49)45-58/h7-45H,4-6H2,1-3H3.
What are the key properties of N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine has a molecular weight of 875.17 g/mol, XLogP of 16.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4,11,17-triethyl-8-[4-(N-phenylanilino)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 58501019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).