3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C43H28ClN — CID 146539095

IUPAC3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C43H28ClN/c44-31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)40-18-10-8-16-36(40)38-28-34(24-26-42(38)43)45(32-13-5-2-6-14-32)33-22-19-30(20-23-33)29-11-3-1-4-12-29/h1-28H
InChIKeyIEKAXPCUAVZZSN-UHFFFAOYSA-N
MW594.16 g/mol
LogP11.82
Rot. Bonds4

About 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 146539095) has the molecular formula C43H28ClN and a molecular weight of 594.16 g/mol. Its IUPAC name is 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound Name3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID146539095
Molecular FormulaC43H28ClN
Molecular Weight594.16 g/mol
Exact Mass593.19
IUPAC Name3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C43H28ClN/c44-31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)40-18-10-8-16-36(40)38-28-34(24-26-42(38)43)45(32-13-5-2-6-14-32)33-22-19-30(20-23-33)29-11-3-1-4-12-29/h1-28H
InChIKeyIEKAXPCUAVZZSN-UHFFFAOYSA-N
XLogP11.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.16
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
1-N-(3-chlorophenyl)-3-N-phenanthren-3-yl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 146601590
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092

Frequently Asked Questions

What is the IUPAC name of 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 146539095) is 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is Clc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is IEKAXPCUAVZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28ClN/c44-31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)40-18-10-8-16-36(40)38-28-34(24-26-42(38)43)45(32-13-5-2-6-14-32)33-22-19-30(20-23-33)29-11-3-1-4-12-29/h1-28H.
What are the key properties of 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 594.16 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 146539095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).