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

C69H62N2 — CID 89345033

IUPACN-[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
SMILESCCCC(CC)(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C69H62N2/c1-6-41-68(7-2,53-29-36-58(37-30-53)70(56-23-11-9-12-24-56)60-34-27-48-19-15-17-21-50(48)42-60)55-33-40-62-63-44-52-47-69(8-3,64(52)46-66(63)67(4,5)65(62)45-55)54-31-38-59(39-32-54)71(57-25-13-10-14-26-57)61-35-28-49-20-16-18-22-51(49)43-61/h9-40,42-46H,6-8,41,47H2,1-5H3
InChIKeyZSHXGMAICXDEJT-UHFFFAOYSA-N
MW919.27 g/mol
LogP18.99
Rot. Bonds13

About 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

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 (PubChem CID 89345033) has the molecular formula C69H62N2 and a molecular weight of 919.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89345033
Molecular FormulaC69H62N2
Molecular Weight919.27 g/mol
Exact Mass918.49
IUPAC NameN-[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
SMILESCCCC(CC)(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C69H62N2/c1-6-41-68(7-2,53-29-36-58(37-30-53)70(56-23-11-9-12-24-56)60-34-27-48-19-15-17-21-50(48)42-60)55-33-40-62-63-44-52-47-69(8-3,64(52)46-66(63)67(4,5)65(62)45-55)54-31-38-59(39-32-54)71(57-25-13-10-14-26-57)61-35-28-49-20-16-18-22-51(49)43-61/h9-40,42-46H,6-8,41,47H2,1-5H3
InChIKeyZSHXGMAICXDEJT-UHFFFAOYSA-N
XLogP18.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.27
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
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-(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
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 66694321
6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
CID 70882539
10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine
CID 89061080

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(CC)(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is ZSHXGMAICXDEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62N2/c1-6-41-68(7-2,53-29-36-58(37-30-53)70(56-23-11-9-12-24-56)60-34-27-48-19-15-17-21-50(48)42-60)55-33-40-62-63-44-52-47-69(8-3,64(52)46-66(63)67(4,5)65(62)45-55)54-31-38-59(39-32-54)71(57-25-13-10-14-26-57)61-35-28-49-20-16-18-22-51(49)43-61/h9-40,42-46H,6-8,41,47H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 919.27 g/mol, XLogP of 18.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89345033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).