N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline

C49H37N — CID 70822820

IUPACN,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12
InChIInChI=1S/C49H37N/c1-4-14-36(15-5-1)38-26-32-43(33-27-38)50(42-18-8-3-9-19-42)44-34-28-39(29-35-44)37-24-30-41(31-25-37)49(40-16-6-2-7-17-40)47-22-12-10-20-45(47)46-21-11-13-23-48(46)49/h1-12,14-22,24-35H,13,23H2
InChIKeyJBBMMKNENBIGIJ-UHFFFAOYSA-N
MW639.84 g/mol
LogP12.94
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline (PubChem CID 70822820) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
PubChem CID70822820
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12
InChIInChI=1S/C49H37N/c1-4-14-36(15-5-1)38-26-32-43(33-27-38)50(42-18-8-3-9-19-42)44-34-28-39(29-35-44)37-24-30-41(31-25-37)49(40-16-6-2-7-17-40)47-22-12-10-20-45(47)46-21-11-13-23-48(46)49/h1-12,14-22,24-35H,13,23H2
InChIKeyJBBMMKNENBIGIJ-UHFFFAOYSA-N
XLogP12.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline
CID 145272645
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrofluoren-2-yl]-9-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167160929
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline (CID 70822820) is N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline is C1=CC2=C(CC1)C(c1ccccc1)(c1ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline?
The InChIKey is JBBMMKNENBIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-4-14-36(15-5-1)38-26-32-43(33-27-38)50(42-18-8-3-9-19-42)44-34-28-39(29-35-44)37-24-30-41(31-25-37)49(40-16-6-2-7-17-40)47-22-12-10-20-45(47)46-21-11-13-23-48(46)49/h1-12,14-22,24-35H,13,23H2.
What are the key properties of N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline has a molecular weight of 639.84 g/mol, XLogP of 12.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 70822820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).