N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

C47H30BrN — CID 121383399

IUPACN-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESBrc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H30BrN/c48-35-22-17-32(18-23-35)33-19-24-36(25-20-33)49(37-26-21-31-9-1-2-10-34(31)29-37)38-27-28-42-41-13-5-8-16-45(41)47(46(42)30-38)43-14-6-3-11-39(43)40-12-4-7-15-44(40)47/h1-30H
InChIKeyBOLJVSIORQCEDU-UHFFFAOYSA-N
MW688.67 g/mol
LogP13.08
Rot. Bonds4

About N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 121383399) has the molecular formula C47H30BrN and a molecular weight of 688.67 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID121383399
Molecular FormulaC47H30BrN
Molecular Weight688.67 g/mol
Exact Mass687.16
IUPAC NameN-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESBrc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H30BrN/c48-35-22-17-32(18-23-35)33-19-24-36(25-20-33)49(37-26-21-31-9-1-2-10-34(31)29-37)38-27-28-42-41-13-5-8-16-45(41)47(46(42)30-38)43-14-6-3-11-39(43)40-12-4-7-15-44(40)47/h1-30H
InChIKeyBOLJVSIORQCEDU-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-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
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
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
CID 23590222
CID 23590222
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229633

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 121383399) is N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is Brc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BOLJVSIORQCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30BrN/c48-35-22-17-32(18-23-35)33-19-24-36(25-20-33)49(37-26-21-31-9-1-2-10-34(31)29-37)38-27-28-42-41-13-5-8-16-45(41)47(46(42)30-38)43-14-6-3-11-39(43)40-12-4-7-15-44(40)47/h1-30H.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-[4-(4-bromophenyl)phenyl]-N-naphthalen-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 N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 121383399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).