2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine

C49H35BrN2 — CID 162199805

IUPAC2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H15Br.C24H20N2/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H;1-19,25H
InChIKeyZRKUXNCSQCXNQR-UHFFFAOYSA-N
MW731.74 g/mol
LogP13.69
Rot. Bonds5

About 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine

2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 162199805) has the molecular formula C49H35BrN2 and a molecular weight of 731.74 g/mol. Its IUPAC name is 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID162199805
Molecular FormulaC49H35BrN2
Molecular Weight731.74 g/mol
Exact Mass730.20
IUPAC Name2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H15Br.C24H20N2/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H;1-19,25H
InChIKeyZRKUXNCSQCXNQR-UHFFFAOYSA-N
XLogP13.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.74
LogP ≤ 513.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58202632
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
CID 139380071
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
CID 23590222
CID 23590222
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
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
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
CID 158854993
CID 158854993

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine (CID 162199805) is 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is ZRKUXNCSQCXNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Br.C24H20N2/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H;1-19,25H.
What are the key properties of 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 731.74 g/mol, XLogP of 13.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 162199805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).