(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine

C42H37NO — CID 138636147

IUPAC(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine
SMILESC=C(/C=C\C(N)c1ccc(C2=C(C3(c4ccccc4)c4ccccc4Oc4ccccc43)C=CCC2)cc1)C1C=CC=CC1
InChIInChI=1S/C42H37NO/c1-30(31-14-4-2-5-15-31)24-29-39(43)33-27-25-32(26-28-33)35-18-8-9-19-36(35)42(34-16-6-3-7-17-34)37-20-10-12-22-40(37)44-41-23-13-11-21-38(41)42/h2-7,9-14,16-17,19-29,31,39H,1,8,15,18,43H2/b29-24-
InChIKeyKUJWVSWIAZJWRQ-OLFWJLLRSA-N
MW571.76 g/mol
LogP10.18
Rot. Bonds7

About (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine

(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine (PubChem CID 138636147) has the molecular formula C42H37NO and a molecular weight of 571.76 g/mol. Its IUPAC name is (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine
PubChem CID138636147
Molecular FormulaC42H37NO
Molecular Weight571.76 g/mol
Exact Mass571.29
IUPAC Name(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine
SMILESC=C(/C=C\C(N)c1ccc(C2=C(C3(c4ccccc4)c4ccccc4Oc4ccccc43)C=CCC2)cc1)C1C=CC=CC1
InChIInChI=1S/C42H37NO/c1-30(31-14-4-2-5-15-31)24-29-39(43)33-27-25-32(26-28-33)35-18-8-9-19-36(35)42(34-16-6-3-7-17-34)37-20-10-12-22-40(37)44-41-23-13-11-21-38(41)42/h2-7,9-14,16-17,19-29,31,39H,1,8,15,18,43H2/b29-24-
InChIKeyKUJWVSWIAZJWRQ-OLFWJLLRSA-N
XLogP10.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.76
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-cyclohexa-2,4-dien-1-yl-2-[4-(9,9-diphenylxanthen-2-yl)phenyl]-6-phenylpyrimidine
CID 146388549
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine
CID 134504736
[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
CID 145152257
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
CID 155443498
2-cyclohexa-2,4-dien-1-yl-4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388782
N'-(cyclohexa-2,4-dien-1-ylmethyl)-2-(8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthren-4-yl)-N-methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 142561172
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 174255529
N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
CID 166924257
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine (CID 138636147) is (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine is C=C(/C=C\C(N)c1ccc(C2=C(C3(c4ccccc4)c4ccccc4Oc4ccccc43)C=CCC2)cc1)C1C=CC=CC1.
What is the InChIKey of (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine?
The InChIKey is KUJWVSWIAZJWRQ-OLFWJLLRSA-N. The full InChI is InChI=1S/C42H37NO/c1-30(31-14-4-2-5-15-31)24-29-39(43)33-27-25-32(26-28-33)35-18-8-9-19-36(35)42(34-16-6-3-7-17-34)37-20-10-12-22-40(37)44-41-23-13-11-21-38(41)42/h2-7,9-14,16-17,19-29,31,39H,1,8,15,18,43H2/b29-24-.
What are the key properties of (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine?
(2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine has a molecular weight of 571.76 g/mol, XLogP of 10.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-cyclohexa-2,4-dien-1-yl-1-[4-[2-(9-phenylxanthen-9-yl)cyclohexa-1,3-dien-1-yl]phenyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 138636147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).