N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

C57H35N — CID 166032352

IUPACN-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C57H35N/c1-2-15-36(16-3-1)37-29-31-41(32-30-37)58(56-42-20-7-6-19-40(42)35-49-47-33-38-17-4-5-18-39(38)34-48(47)54(49)56)53-28-14-24-46-45-23-10-13-27-52(45)57(55(46)53)50-25-11-8-21-43(50)44-22-9-12-26-51(44)57/h1-35H
InChIKeyHNGTXWMIBHNYSM-UHFFFAOYSA-N
MW733.91 g/mol
LogP15.12
Rot. Bonds4

About N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 166032352) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID166032352
Molecular FormulaC57H35N
Molecular Weight733.91 g/mol
Exact Mass733.28
IUPAC NameN-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C57H35N/c1-2-15-36(16-3-1)37-29-31-41(32-30-37)58(56-42-20-7-6-19-40(42)35-49-47-33-38-17-4-5-18-39(38)34-48(47)54(49)56)53-28-14-24-46-45-23-10-13-27-52(45)57(55(46)53)50-25-11-8-21-43(50)44-22-9-12-26-51(44)57/h1-35H
InChIKeyHNGTXWMIBHNYSM-UHFFFAOYSA-N
XLogP15.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166032156
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033362
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166031817
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 139498985
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033120
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766

Frequently Asked Questions

What is the IUPAC name of N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 166032352) is N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is HNGTXWMIBHNYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c1-2-15-36(16-3-1)37-29-31-41(32-30-37)58(56-42-20-7-6-19-40(42)35-49-47-33-38-17-4-5-18-39(38)34-48(47)54(49)56)53-28-14-24-46-45-23-10-13-27-52(45)57(55(46)53)50-25-11-8-21-43(50)44-22-9-12-26-51(44)57/h1-35H.
What are the key properties of N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 733.91 g/mol, XLogP of 15.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 166032352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).