N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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

C56H41N — CID 146414763

IUPACN-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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
SMILESCC1C=CC(c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)=CC1
InChIInChI=1S/C56H41N/c1-38-27-29-39(30-28-38)40-31-33-42(34-32-40)57(55-26-14-10-17-44(55)41-15-3-2-4-16-41)43-35-36-54-50(37-43)49-22-9-13-25-53(49)56(54)51-23-11-7-20-47(51)45-18-5-6-19-46(45)48-21-8-12-24-52(48)56/h2-27,29-38H,28H2,1H3
InChIKeyCHCQXLCYQXALTP-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.81
Rot. Bonds5

About N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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

N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 (PubChem CID 146414763) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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.

Molecular Properties

Compound NameN-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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
PubChem CID146414763
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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
SMILESCC1C=CC(c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)=CC1
InChIInChI=1S/C56H41N/c1-38-27-29-39(30-28-38)40-31-33-42(34-32-40)57(55-26-14-10-17-44(55)41-15-3-2-4-16-41)43-35-36-54-50(37-43)49-22-9-13-25-53(49)56(54)51-23-11-7-20-47(51)45-18-5-6-19-46(45)48-21-8-12-24-52(48)56/h2-27,29-38H,28H2,1H3
InChIKeyCHCQXLCYQXALTP-UHFFFAOYSA-N
XLogP14.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 with MolForge

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Related Compounds

3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116685
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476600
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217
N,N-bis(2-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N,N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 160804380
N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168750064
N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 159938293
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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?
The IUPAC name of N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 146414763) is N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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.
What is the SMILES notation for N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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?
The canonical SMILES for N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 is CC1C=CC(c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)=CC1.
What is the InChIKey of N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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?
The InChIKey is CHCQXLCYQXALTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-38-27-29-39(30-28-38)40-31-33-42(34-32-40)57(55-26-14-10-17-44(55)41-15-3-2-4-16-41)43-35-36-54-50(37-43)49-22-9-13-25-53(49)56(54)51-23-11-7-20-47(51)45-18-5-6-19-46(45)48-21-8-12-24-52(48)56/h2-27,29-38H,28H2,1H3.
What are the key properties of N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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?
N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 has a molecular weight of 727.95 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-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 is sourced from PubChem (CID 146414763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).