N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine

C50H35N — CID 146413961

IUPACN,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3C3(c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)C2C=C1
InChIInChI=1S/C50H35N/c1-4-17-34(18-5-1)49-42-26-12-11-24-39(42)41-25-16-30-46(48(41)49)50(45-29-15-14-28-44(45)49)43-27-13-10-23-38(43)40-32-31-37(33-47(40)50)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-33,38,43H
InChIKeyLHIBRDGNJKWAGW-UHFFFAOYSA-N
MW649.84 g/mol
LogP12.01
Rot. Bonds4

About N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine

N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine (PubChem CID 146413961) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine.

Molecular Properties

Compound NameN,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
PubChem CID146413961
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3C3(c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)C2C=C1
InChIInChI=1S/C50H35N/c1-4-17-34(18-5-1)49-42-26-12-11-24-39(42)41-25-16-30-46(48(41)49)50(45-29-15-14-28-44(45)49)43-27-13-10-23-38(43)40-32-31-37(33-47(40)50)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-33,38,43H
InChIKeyLHIBRDGNJKWAGW-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine with MolForge

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Related Compounds

3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
CID 89177572
N-naphthalen-2-yl-9,9-diphenyl-N-(3,9,9-triphenyl-4b,8a-dihydrofluoren-2-yl)fluoren-2-amine
CID 175632223
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
CID 134944054
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209

Frequently Asked Questions

What is the IUPAC name of N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine?
The IUPAC name of N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine (CID 146413961) is N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine.
What is the SMILES notation for N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine?
The canonical SMILES for N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine is C1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3C3(c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)C2C=C1.
What is the InChIKey of N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine?
The InChIKey is LHIBRDGNJKWAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-17-34(18-5-1)49-42-26-12-11-24-39(42)41-25-16-30-46(48(41)49)50(45-29-15-14-28-44(45)49)43-27-13-10-23-38(43)40-32-31-37(33-47(40)50)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-33,38,43H.
What are the key properties of N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine?
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine has a molecular weight of 649.84 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine is sourced from PubChem (CID 146413961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).