2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine

C74H53Br2N3 — CID 159097880

IUPAC2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
SMILESBrc1ccc2c(c1)Cc1cc(Br)ccc1-2.c1ccc(N(c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C45H32N2.C16H13N.C13H8Br2/c1-3-17-36(18-4-1)46(44-23-11-15-32-13-7-9-21-42(32)44)38-25-27-40-34(30-38)29-35-31-39(26-28-41(35)40)47(37-19-5-2-6-20-37)45-24-12-16-33-14-8-10-22-43(33)45;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-28,30-31H,29H2;1-12,17H;1-4,6-7H,5H2
InChIKeyKCWZREIUEGSVFJ-UHFFFAOYSA-N
MW1144.07 g/mol
LogP21.87
Rot. Bonds8

About 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine

2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine (PubChem CID 159097880) has the molecular formula C74H53Br2N3 and a molecular weight of 1144.07 g/mol. Its IUPAC name is 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
PubChem CID159097880
Molecular FormulaC74H53Br2N3
Molecular Weight1144.07 g/mol
Exact Mass1141.26
IUPAC Name2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
SMILESBrc1ccc2c(c1)Cc1cc(Br)ccc1-2.c1ccc(N(c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C45H32N2.C16H13N.C13H8Br2/c1-3-17-36(18-4-1)46(44-23-11-15-32-13-7-9-21-42(32)44)38-25-27-40-34(30-38)29-35-31-39(26-28-41(35)40)47(37-19-5-2-6-20-37)45-24-12-16-33-14-8-10-22-43(33)45;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-28,30-31H,29H2;1-12,17H;1-4,6-7H,5H2
InChIKeyKCWZREIUEGSVFJ-UHFFFAOYSA-N
XLogP21.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.07
LogP ≤ 521.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
CID 159827685
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
6,11-dibromo-1,2,3,4-tetraphenyltriphenylene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N,9,10,11,12-hexakis-phenyltriphenylene-2,7-diamine;methane;N-phenylnaphthalen-1-amine
CID 159839238
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
CID 158357134
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
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
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 159926574
4-N-naphthalen-1-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)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 158884424
N,4-diphenyl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161371877
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine?
The IUPAC name of 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine (CID 159097880) is 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine.
What is the SMILES notation for 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine?
The canonical SMILES for 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine is Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.c1ccc(N(c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine?
The InChIKey is KCWZREIUEGSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2.C16H13N.C13H8Br2/c1-3-17-36(18-4-1)46(44-23-11-15-32-13-7-9-21-42(32)44)38-25-27-40-34(30-38)29-35-31-39(26-28-41(35)40)47(37-19-5-2-6-20-37)45-24-12-16-33-14-8-10-22-43(33)45;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-28,30-31H,29H2;1-12,17H;1-4,6-7H,5H2.
What are the key properties of 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine?
2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine has a molecular weight of 1144.07 g/mol, XLogP of 21.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine is sourced from PubChem (CID 159097880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).