N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine

C66H54N2 — CID 71027907

IUPACN-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCCC1(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H54N2/c1-5-65(49-27-33-53(34-28-49)67(51-21-9-7-10-22-51)55-31-25-44-17-13-15-19-46(44)37-55)43-48-39-57-58-40-62-63(42-61(58)64(3,4)60(57)41-59(48)65)66(62,6-2)50-29-35-54(36-30-50)68(52-23-11-8-12-24-52)56-32-26-45-18-14-16-20-47(45)38-56/h7-42H,5-6,43H2,1-4H3
InChIKeyCRNQDVYGCGMOER-UHFFFAOYSA-N
MW875.17 g/mol
LogP17.55
Rot. Bonds10

About N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 71027907) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID71027907
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC NameN-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCCC1(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H54N2/c1-5-65(49-27-33-53(34-28-49)67(51-21-9-7-10-22-51)55-31-25-44-17-13-15-19-46(44)37-55)43-48-39-57-58-40-62-63(42-61(58)64(3,4)60(57)41-59(48)65)66(62,6-2)50-29-35-54(36-30-50)68(52-23-11-8-12-24-52)56-32-26-45-18-14-16-20-47(45)38-56/h7-42H,5-6,43H2,1-4H3
InChIKeyCRNQDVYGCGMOER-UHFFFAOYSA-N
XLogP17.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-[12-ethyl-8,8-dimethyl-5-[3-[4-(N-naphthalen-2-ylanilino)phenyl]hexan-3-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89345033
6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine
CID 71026522
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
13-ethyl-5-N,13-N,9,9-tetramethyl-5-N,13-N-dinaphthalen-2-yl-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
CID 71108336
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 71027907) is N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine is CCC1(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C2(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is CRNQDVYGCGMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2/c1-5-65(49-27-33-53(34-28-49)67(51-21-9-7-10-22-51)55-31-25-44-17-13-15-19-46(44)37-55)43-48-39-57-58-40-62-63(42-61(58)64(3,4)60(57)41-59(48)65)66(62,6-2)50-29-35-54(36-30-50)68(52-23-11-8-12-24-52)56-32-26-45-18-14-16-20-47(45)38-56/h7-42H,5-6,43H2,1-4H3.
What are the key properties of N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 875.17 g/mol, XLogP of 17.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 71027907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).