[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine

C44H36N2 — CID 142481543

IUPAC[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine
SMILESNCc1cccc2c1C1=C(CCC(c3ccccc3-c3ccccc3)=C1)C21c2ccccc2N(C2C=CC=CC2)c2ccccc21
InChIInChI=1S/C44H36N2/c45-29-32-16-13-23-40-43(32)36-28-31(35-20-8-7-19-34(35)30-14-3-1-4-15-30)26-27-37(36)44(40)38-21-9-11-24-41(38)46(33-17-5-2-6-18-33)42-25-12-10-22-39(42)44/h1-17,19-25,28,33H,18,26-27,29,45H2
InChIKeyUVJRJEINRMNRPB-UHFFFAOYSA-N
MW592.79 g/mol
LogP10.13
Rot. Bonds4

About [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine

[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine (PubChem CID 142481543) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine.

Molecular Properties

Compound Name[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine
PubChem CID142481543
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine
SMILESNCc1cccc2c1C1=C(CCC(c3ccccc3-c3ccccc3)=C1)C21c2ccccc2N(C2C=CC=CC2)c2ccccc21
InChIInChI=1S/C44H36N2/c45-29-32-16-13-23-40-43(32)36-28-31(35-20-8-7-19-34(35)30-14-3-1-4-15-30)26-27-37(36)44(40)38-21-9-11-24-41(38)46(33-17-5-2-6-18-33)42-25-12-10-22-39(42)44/h1-17,19-25,28,33H,18,26-27,29,45H2
InChIKeyUVJRJEINRMNRPB-UHFFFAOYSA-N
XLogP10.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 510.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 145320473
ethane;ethylbenzene;methanamine;3-phenyl-5-(1-phenylethyl)spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,8(20),9,11,14,16,18-octaene]
CID 142481445
10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
CID 70902512
(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine
CID 142293276
4-[9',9'-dimethyl-6-[4-[4-(3-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]spiro[7,8-dihydrofluorene-9,10'-anthracene]-4-yl]-2,6-diphenylpyrimidine
CID 155475733
(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine
CID 176917178
10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]
CID 145212951
3'-benzyl-5'-(cyclohexa-2,4-dien-1-ylmethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142480319
8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]
CID 166958396
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
ethane;(2-phenylphenyl)methanamine
CID 142592948
9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
CID 156827380

Frequently Asked Questions

What is the IUPAC name of [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine?
The IUPAC name of [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine (CID 142481543) is [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine.
What is the SMILES notation for [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine?
The canonical SMILES for [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine is NCc1cccc2c1C1=C(CCC(c3ccccc3-c3ccccc3)=C1)C21c2ccccc2N(C2C=CC=CC2)c2ccccc21.
What is the InChIKey of [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine?
The InChIKey is UVJRJEINRMNRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c45-29-32-16-13-23-40-43(32)36-28-31(35-20-8-7-19-34(35)30-14-3-1-4-15-30)26-27-37(36)44(40)38-21-9-11-24-41(38)46(33-17-5-2-6-18-33)42-25-12-10-22-39(42)44/h1-17,19-25,28,33H,18,26-27,29,45H2.
What are the key properties of [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine?
[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine has a molecular weight of 592.79 g/mol, XLogP of 10.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine is sourced from PubChem (CID 142481543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).