N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine

C49H52N2 — CID 170073376

IUPACN-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C(c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3cccc4ccccc34)cc2)C(C)(C)CC1(C)C
InChIInChI=1S/C49H52N2/c1-32(2)40-20-14-21-41(33(3)4)46(40)51-47(48(5,6)31-49(51,7)8)35-23-26-38(27-24-35)50(45-22-13-17-34-15-9-12-19-43(34)45)39-28-25-37-29-36-16-10-11-18-42(36)44(37)30-39/h9-28,30,32-33,47H,29,31H2,1-8H3
InChIKeyZBVHYLQNYJSJCF-UHFFFAOYSA-N
MW668.97 g/mol
LogP13.88
Rot. Bonds7

About N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine

N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine (PubChem CID 170073376) has the molecular formula C49H52N2 and a molecular weight of 668.97 g/mol. Its IUPAC name is N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine
PubChem CID170073376
Molecular FormulaC49H52N2
Molecular Weight668.97 g/mol
Exact Mass668.41
IUPAC NameN-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C(c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3cccc4ccccc34)cc2)C(C)(C)CC1(C)C
InChIInChI=1S/C49H52N2/c1-32(2)40-20-14-21-41(33(3)4)46(40)51-47(48(5,6)31-49(51,7)8)35-23-26-38(27-24-35)50(45-22-13-17-34-15-9-12-19-43(34)45)39-28-25-37-29-36-16-10-11-18-42(36)44(37)30-39/h9-28,30,32-33,47H,29,31H2,1-8H3
InChIKeyZBVHYLQNYJSJCF-UHFFFAOYSA-N
XLogP13.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.97
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
CID 144990400
N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170073294
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 176588293
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;4-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 160803863
tetrakis(9,9-dimethylfluorene);ethane;N-ethyl-N,2-diphenylaniline;N-ethyl-N,4-diphenylaniline;pentakis(N-ethyl-N-phenylaniline);N-ethyl-N-phenylnaphthalen-1-amine;tetrakis(9H-fluorene)
CID 159080536
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine?
The IUPAC name of N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine (CID 170073376) is N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine.
What is the SMILES notation for N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine?
The canonical SMILES for N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine is CC(C)c1cccc(C(C)C)c1N1C(c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3cccc4ccccc34)cc2)C(C)(C)CC1(C)C.
What is the InChIKey of N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine?
The InChIKey is ZBVHYLQNYJSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N2/c1-32(2)40-20-14-21-41(33(3)4)46(40)51-47(48(5,6)31-49(51,7)8)35-23-26-38(27-24-35)50(45-22-13-17-34-15-9-12-19-43(34)45)39-28-25-37-29-36-16-10-11-18-42(36)44(37)30-39/h9-28,30,32-33,47H,29,31H2,1-8H3.
What are the key properties of N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine?
N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine has a molecular weight of 668.97 g/mol, XLogP of 13.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine is sourced from PubChem (CID 170073376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).