N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine

C56H37N — CID 142294432

IUPACN-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C3CC43)c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H37N/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)57(40-26-28-44-47(32-40)42-16-6-7-17-43(42)48-34-49(44)48)41-27-29-54-51(33-41)50-30-37-14-4-5-15-38(37)31-55(50)56(54)52-20-10-8-18-45(52)46-19-9-11-21-53(46)56/h1-33,48-49H,34H2
InChIKeyCEFWARYBRCDWCH-UHFFFAOYSA-N
MW723.92 g/mol
LogP14.57
Rot. Bonds4

About N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine

N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine (PubChem CID 142294432) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
PubChem CID142294432
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C3CC43)c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H37N/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)57(40-26-28-44-47(32-40)42-16-6-7-17-43(42)48-34-49(44)48)41-27-29-54-51(33-41)50-30-37-14-4-5-15-38(37)31-55(50)56(54)52-20-10-8-18-45(52)46-19-9-11-21-53(46)56/h1-33,48-49H,34H2
InChIKeyCEFWARYBRCDWCH-UHFFFAOYSA-N
XLogP14.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-N-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'-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 130462533
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
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-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
N-(9,9-dimethylfluoren-2-yl)-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]-11'-amine
CID 130462501

Frequently Asked Questions

What is the IUPAC name of N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The IUPAC name of N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine (CID 142294432) is N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C3CC43)c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The InChIKey is CEFWARYBRCDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)57(40-26-28-44-47(32-40)42-16-6-7-17-43(42)48-34-49(44)48)41-27-29-54-51(33-41)50-30-37-14-4-5-15-38(37)31-55(50)56(54)52-20-10-8-18-45(52)46-19-9-11-21-53(46)56/h1-33,48-49H,34H2.
What are the key properties of N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine has a molecular weight of 723.92 g/mol, XLogP of 14.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 142294432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).