7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline

C94H73BrN4 — CID 159499057

IUPAC7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.CC1(C)c2cc(Nc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H36N2.C35H26BrN.C12H11N/c1-47(2)43-30-37(48-36-24-22-33(23-25-36)32-12-4-3-5-13-32)26-28-41(43)42-29-27-38(31-44(42)47)49(45-20-10-16-34-14-6-8-18-39(34)45)46-21-11-17-35-15-7-9-19-40(35)46;1-35(2)31-21-25(36)17-19-29(31)30-20-18-26(22-32(30)35)37(33-15-7-11-23-9-3-5-13-27(23)33)34-16-8-12-24-10-4-6-14-28(24)34;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-31,48H,1-2H3;3-22H,1-2H3;1-9H,13H2
InChIKeyLZDQHCVNFXPVHX-UHFFFAOYSA-N
MW1338.55 g/mol
LogP26.65
Rot. Bonds10

About 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline

7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline (PubChem CID 159499057) has the molecular formula C94H73BrN4 and a molecular weight of 1338.55 g/mol. Its IUPAC name is 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline.

Molecular Properties

Compound Name7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
PubChem CID159499057
Molecular FormulaC94H73BrN4
Molecular Weight1338.55 g/mol
Exact Mass1336.50
IUPAC Name7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.CC1(C)c2cc(Nc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H36N2.C35H26BrN.C12H11N/c1-47(2)43-30-37(48-36-24-22-33(23-25-36)32-12-4-3-5-13-32)26-28-41(43)42-29-27-38(31-44(42)47)49(45-20-10-16-34-14-6-8-18-39(34)45)46-21-11-17-35-15-7-9-19-40(35)46;1-35(2)31-21-25(36)17-19-29(31)30-20-18-26(22-32(30)35)37(33-15-7-11-23-9-3-5-13-27(23)33)34-16-8-12-24-10-4-6-14-28(24)34;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-31,48H,1-2H3;3-22H,1-2H3;1-9H,13H2
InChIKeyLZDQHCVNFXPVHX-UHFFFAOYSA-N
XLogP26.65
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001338.55
LogP ≤ 526.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline with MolForge

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Related Compounds

7-bromo-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;2-bromo-7-iodo-9,9-dimethylfluorene;molecular iodine;N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 165028912
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
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
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9-bromo-11,11-dimethylfluoreno[3,2-b][1]benzofuran;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157463522
4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
CID 160531878
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
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
N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-bromophenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-bromophenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 158231660
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline?
The IUPAC name of 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline (CID 159499057) is 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline.
What is the SMILES notation for 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline?
The canonical SMILES for 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline is CC1(C)c2cc(Br)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.CC1(C)c2cc(Nc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21.Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline?
The InChIKey is LZDQHCVNFXPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2.C35H26BrN.C12H11N/c1-47(2)43-30-37(48-36-24-22-33(23-25-36)32-12-4-3-5-13-32)26-28-41(43)42-29-27-38(31-44(42)47)49(45-20-10-16-34-14-6-8-18-39(34)45)46-21-11-17-35-15-7-9-19-40(35)46;1-35(2)31-21-25(36)17-19-29(31)30-20-18-26(22-32(30)35)37(33-15-7-11-23-9-3-5-13-27(23)33)34-16-8-12-24-10-4-6-14-28(24)34;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-31,48H,1-2H3;3-22H,1-2H3;1-9H,13H2.
What are the key properties of 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline?
7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline has a molecular weight of 1338.55 g/mol, XLogP of 26.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline is sourced from PubChem (CID 159499057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).