2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine

C47H30BrN — CID 176633878

IUPAC2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3)cc21
InChIInChI=1S/C47H30BrN/c48-34-23-25-39-37-19-9-11-21-42(37)47(44(39)29-34)43-22-12-10-20-38(43)40-26-24-36(30-45(40)47)49(35-17-5-2-6-18-35)46-28-33-16-8-7-15-32(33)27-41(46)31-13-3-1-4-14-31/h1-30H
InChIKeyLUBCBVRQPGYFAB-UHFFFAOYSA-N
MW688.67 g/mol
LogP13.08
Rot. Bonds4

About 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine

2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 176633878) has the molecular formula C47H30BrN and a molecular weight of 688.67 g/mol. Its IUPAC name is 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID176633878
Molecular FormulaC47H30BrN
Molecular Weight688.67 g/mol
Exact Mass687.16
IUPAC Name2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3)cc21
InChIInChI=1S/C47H30BrN/c48-34-23-25-39-37-19-9-11-21-42(37)47(44(39)29-34)43-22-12-10-20-38(43)40-26-24-36(30-45(40)47)49(35-17-5-2-6-18-35)46-28-33-16-8-7-15-32(33)27-41(46)31-13-3-1-4-14-31/h1-30H
InChIKeyLUBCBVRQPGYFAB-UHFFFAOYSA-N
XLogP13.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.67
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098438
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791748
N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383399
N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164977572
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
2-N-(9,9-diphenylfluoren-3-yl)-2-N,2-N',2-N',3'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791813

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 176633878) is 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4cc3-c3ccccc3)cc21.
What is the InChIKey of 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LUBCBVRQPGYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30BrN/c48-34-23-25-39-37-19-9-11-21-42(37)47(44(39)29-34)43-22-12-10-20-38(43)40-26-24-36(30-45(40)47)49(35-17-5-2-6-18-35)46-28-33-16-8-7-15-32(33)27-41(46)31-13-3-1-4-14-31/h1-30H.
What are the key properties of 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 688.67 g/mol, XLogP of 13.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 176633878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).