(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine

C63H45NO — CID 118450072

IUPAC(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine
SMILESC=C1/C=C\C=C/Cc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc2C12c1ccccc1Oc1ccccc12
InChIInChI=1S/C63H45NO/c1-44-21-6-2-13-29-53-55(62(44)56-31-16-18-35-60(56)65-61-36-19-17-32-57(61)62)33-20-34-59(53)64(49-39-37-46(38-40-49)45-22-7-3-8-23-45)50-41-42-52-51-28-14-15-30-54(51)63(58(52)43-50,47-24-9-4-10-25-47)48-26-11-5-12-27-48/h2-28,30-43H,1,29H2/b13-2-,21-6-
InChIKeyMQODMWUKVWDDJT-RAHHFSLVSA-N
MW832.06 g/mol
LogP15.85
Rot. Bonds6

About (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine

(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine (PubChem CID 118450072) has the molecular formula C63H45NO and a molecular weight of 832.06 g/mol. Its IUPAC name is (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine.

Molecular Properties

Compound Name(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine
PubChem CID118450072
Molecular FormulaC63H45NO
Molecular Weight832.06 g/mol
Exact Mass831.35
IUPAC Name(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine
SMILESC=C1/C=C\C=C/Cc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc2C12c1ccccc1Oc1ccccc12
InChIInChI=1S/C63H45NO/c1-44-21-6-2-13-29-53-55(62(44)56-31-16-18-35-60(56)65-61-36-19-17-32-57(61)62)33-20-34-59(53)64(49-39-37-46(38-40-49)45-22-7-3-8-23-45)50-41-42-52-51-28-14-15-30-54(51)63(58(52)43-50,47-24-9-4-10-25-47)48-26-11-5-12-27-48/h2-28,30-43H,1,29H2/b13-2-,21-6-
InChIKeyMQODMWUKVWDDJT-RAHHFSLVSA-N
XLogP15.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.06
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine
CID 134504736
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475861
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine?
The IUPAC name of (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine (CID 118450072) is (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine.
What is the SMILES notation for (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine?
The canonical SMILES for (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine is C=C1/C=C\C=C/Cc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc2C12c1ccccc1Oc1ccccc12.
What is the InChIKey of (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine?
The InChIKey is MQODMWUKVWDDJT-RAHHFSLVSA-N. The full InChI is InChI=1S/C63H45NO/c1-44-21-6-2-13-29-53-55(62(44)56-31-16-18-35-60(56)65-61-36-19-17-32-57(61)62)33-20-34-59(53)64(49-39-37-46(38-40-49)45-22-7-3-8-23-45)50-41-42-52-51-28-14-15-30-54(51)63(58(52)43-50,47-24-9-4-10-25-47)48-26-11-5-12-27-48/h2-28,30-43H,1,29H2/b13-2-,21-6-.
What are the key properties of (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine?
(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine has a molecular weight of 832.06 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine is sourced from PubChem (CID 118450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).