N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C40H29N — CID 170153572

IUPACN-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC/C=C\c1cccc(-c2cccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)c1
InChIInChI=1S/C40H29N/c1-2-11-27-12-9-13-28(24-27)29-14-10-15-30(25-29)41-31-22-23-35-34-18-5-8-21-38(34)40(39(35)26-31)36-19-6-3-16-32(36)33-17-4-7-20-37(33)40/h2-26,41H,1H3/b11-2-
InChIKeyRZOYZXJQCNLLSP-FUQNDXKWSA-N
MW523.68 g/mol
LogP10.47
Rot. Bonds4

About N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170153572) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID170153572
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC/C=C\c1cccc(-c2cccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)c1
InChIInChI=1S/C40H29N/c1-2-11-27-12-9-13-28(24-27)29-14-10-15-30(25-29)41-31-22-23-35-34-18-5-8-21-38(34)40(39(35)26-31)36-19-6-3-16-32(36)33-17-4-7-20-37(33)40/h2-26,41H,1H3/b11-2-
InChIKeyRZOYZXJQCNLLSP-FUQNDXKWSA-N
XLogP10.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 174330293
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 145077293
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 170153572) is N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is C/C=C\c1cccc(-c2cccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)c1.
What is the InChIKey of N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RZOYZXJQCNLLSP-FUQNDXKWSA-N. The full InChI is InChI=1S/C40H29N/c1-2-11-27-12-9-13-28(24-27)29-14-10-15-30(25-29)41-31-22-23-35-34-18-5-8-21-38(34)40(39(35)26-31)36-19-6-3-16-32(36)33-17-4-7-20-37(33)40/h2-26,41H,1H3/b11-2-.
What are the key properties of N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 523.68 g/mol, XLogP of 10.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170153572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).