N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

C61H45NO2 — CID 138581751

IUPACN-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c2Oc2cc(N(C3=CCC(c4ccccc4-c4ccccc4)C=C3)C3=C(c4ccccc4)C=CCC3)ccc2O1
InChIInChI=1S/C61H45NO2/c1-3-17-40(18-4-1)45-21-7-8-22-46(45)42-31-33-43(34-32-42)62(55-30-16-12-23-47(55)41-19-5-2-6-20-41)44-35-37-56-58(39-44)64-60-57(63-56)38-36-54-59(60)50-26-11-15-29-53(50)61(54)51-27-13-9-24-48(51)49-25-10-14-28-52(49)61/h1-9,11-15,17-24,26-29,31,33-39,42H,10,16,25,30,32H2
InChIKeySQTFITBXRWMPPE-UHFFFAOYSA-N
MW824.04 g/mol
LogP15.88
Rot. Bonds6

About N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (PubChem CID 138581751) has the molecular formula C61H45NO2 and a molecular weight of 824.04 g/mol. Its IUPAC name is N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.

Molecular Properties

Compound NameN-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
PubChem CID138581751
Molecular FormulaC61H45NO2
Molecular Weight824.04 g/mol
Exact Mass823.35
IUPAC NameN-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c2Oc2cc(N(C3=CCC(c4ccccc4-c4ccccc4)C=C3)C3=C(c4ccccc4)C=CCC3)ccc2O1
InChIInChI=1S/C61H45NO2/c1-3-17-40(18-4-1)45-21-7-8-22-46(45)42-31-33-43(34-32-42)62(55-30-16-12-23-47(55)41-19-5-2-6-20-41)44-35-37-56-58(39-44)64-60-57(63-56)38-36-54-59(60)50-26-11-15-29-53(50)61(54)51-27-13-9-24-48(51)49-25-10-14-28-52(49)61/h1-9,11-15,17-24,26-29,31,33-39,42H,10,16,25,30,32H2
InChIKeySQTFITBXRWMPPE-UHFFFAOYSA-N
XLogP15.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-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-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
CID 163740360
N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582173
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
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
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 146658921
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The IUPAC name of N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (CID 138581751) is N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.
What is the SMILES notation for N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The canonical SMILES for N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c2Oc2cc(N(C3=CCC(c4ccccc4-c4ccccc4)C=C3)C3=C(c4ccccc4)C=CCC3)ccc2O1.
What is the InChIKey of N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The InChIKey is SQTFITBXRWMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO2/c1-3-17-40(18-4-1)45-21-7-8-22-46(45)42-31-33-43(34-32-42)62(55-30-16-12-23-47(55)41-19-5-2-6-20-41)44-35-37-56-58(39-44)64-60-57(63-56)38-36-54-59(60)50-26-11-15-29-53(50)61(54)51-27-13-9-24-48(51)49-25-10-14-28-52(49)61/h1-9,11-15,17-24,26-29,31,33-39,42H,10,16,25,30,32H2.
What are the key properties of N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine has a molecular weight of 824.04 g/mol, XLogP of 15.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is sourced from PubChem (CID 138581751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).