N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine

C59H42N2 — CID 144640230

IUPACN-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
SMILESC1=CC2c3ccc(N(c4ccc(-c5cccc(-c6ccc7[nH]c8ccccc8c7c6)c5)cc4)c4ccc5ccccc5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C59H42N2/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-33-50(39-56(52)59)61(49-32-28-40-14-7-8-15-44(40)37-49)48-30-26-41(27-31-48)42-16-13-17-43(36-42)45-29-35-58-54(38-45)53-23-10-12-25-57(53)60-58/h1-39,51,55,60H
InChIKeyLNGMLNQKYDKLTK-UHFFFAOYSA-N
MW779.00 g/mol
LogP15.45
Rot. Bonds7

About N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine

N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine (PubChem CID 144640230) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
PubChem CID144640230
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
SMILESC1=CC2c3ccc(N(c4ccc(-c5cccc(-c6ccc7[nH]c8ccccc8c7c6)c5)cc4)c4ccc5ccccc5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C59H42N2/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-33-50(39-56(52)59)61(49-32-28-40-14-7-8-15-44(40)37-49)48-30-26-41(27-31-48)42-16-13-17-43(36-42)45-29-35-58-54(38-45)53-23-10-12-25-57(53)60-58/h1-39,51,55,60H
InChIKeyLNGMLNQKYDKLTK-UHFFFAOYSA-N
XLogP15.45
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 515.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272
N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine
CID 155416718
N-naphthalen-2-yl-9,9-diphenyl-N-(3,9,9-triphenyl-4b,8a-dihydrofluoren-2-yl)fluoren-2-amine
CID 175632223
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 170214633
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine?
The IUPAC name of N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine (CID 144640230) is N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine.
What is the SMILES notation for N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine?
The canonical SMILES for N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine is C1=CC2c3ccc(N(c4ccc(-c5cccc(-c6ccc7[nH]c8ccccc8c7c6)c5)cc4)c4ccc5ccccc5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1.
What is the InChIKey of N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine?
The InChIKey is LNGMLNQKYDKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-33-50(39-56(52)59)61(49-32-28-40-14-7-8-15-44(40)37-49)48-30-26-41(27-31-48)42-16-13-17-43(36-42)45-29-35-58-54(38-45)53-23-10-12-25-57(53)60-58/h1-39,51,55,60H.
What are the key properties of N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine?
N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine has a molecular weight of 779.00 g/mol, XLogP of 15.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 144640230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).