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

C63H39N — CID 166033003

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C63H39N/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(61-28-14-26-59-62(61)50-22-9-12-25-58(50)63(59)56-23-10-7-20-48(56)49-21-8-11-24-57(49)63)60-27-13-19-45-37-53-54-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-52(54)55(53)39-51(45)60/h1-39H
InChIKeyYQZLTHZNUMRYLW-UHFFFAOYSA-N
MW810.01 g/mol
LogP16.79
Rot. Bonds5

About 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

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 (PubChem CID 166033003) has the molecular formula C63H39N and a molecular weight of 810.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166033003
Molecular FormulaC63H39N
Molecular Weight810.01 g/mol
Exact Mass809.31
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C63H39N/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(61-28-14-26-59-62(61)50-22-9-12-25-58(50)63(59)56-23-10-7-20-48(56)49-21-8-11-24-57(49)63)60-27-13-19-45-37-53-54-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-52(54)55(53)39-51(45)60/h1-39H
InChIKeyYQZLTHZNUMRYLW-UHFFFAOYSA-N
XLogP16.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.01
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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-(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)spiro[fluorene-9,9'-xanthene]-4-amine
CID 166031994
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-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
CID 166032937
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168789232
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is YQZLTHZNUMRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(61-28-14-26-59-62(61)50-22-9-12-25-58(50)63(59)56-23-10-7-20-48(56)49-21-8-11-24-57(49)63)60-27-13-19-45-37-53-54-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-52(54)55(53)39-51(45)60/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 810.01 g/mol, XLogP of 16.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166033003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).