N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C65H45N — CID 134194372

IUPACN-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3ccccc3)cc2)cccc1
InChIInChI=1S/C65H45N/c1-2-4-8-20-46(21-9-5-3-1)48-32-34-51(35-33-48)55-42-40-53(44-60(55)50-24-12-7-13-25-50)66(52-38-36-49(37-39-52)47-22-10-6-11-23-47)54-41-43-59-58-28-16-19-31-63(58)65(64(59)45-54)61-29-17-14-26-56(61)57-27-15-18-30-62(57)65/h1-45H/b2-1-,3-1-,4-2-,5-3+,8-4+,9-5+,20-8+,21-9-,46-20+,46-21+
InChIKeyHANHFEXWBVUDDT-NQMHMKCJSA-N
MW840.08 g/mol
LogP17.29
Rot. Bonds7

About N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134194372) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID134194372
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3ccccc3)cc2)cccc1
InChIInChI=1S/C65H45N/c1-2-4-8-20-46(21-9-5-3-1)48-32-34-51(35-33-48)55-42-40-53(44-60(55)50-24-12-7-13-25-50)66(52-38-36-49(37-39-52)47-22-10-6-11-23-47)54-41-43-59-58-28-16-19-31-63(58)65(64(59)45-54)61-29-17-14-26-56(61)57-27-15-18-30-62(57)65/h1-45H/b2-1-,3-1-,4-2-,5-3+,8-4+,9-5+,20-8+,21-9-,46-20+,46-21+
InChIKeyHANHFEXWBVUDDT-NQMHMKCJSA-N
XLogP17.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-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-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-phenyl-N-(4-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]-11'-amine
CID 155079035
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 134194372) is N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3ccccc3)cc2)cccc1.
What is the InChIKey of N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HANHFEXWBVUDDT-NQMHMKCJSA-N. The full InChI is InChI=1S/C65H45N/c1-2-4-8-20-46(21-9-5-3-1)48-32-34-51(35-33-48)55-42-40-53(44-60(55)50-24-12-7-13-25-50)66(52-38-36-49(37-39-52)47-22-10-6-11-23-47)54-41-43-59-58-28-16-19-31-63(58)65(64(59)45-54)61-29-17-14-26-56(61)57-27-15-18-30-62(57)65/h1-45H/b2-1-,3-1-,4-2-,5-3+,8-4+,9-5+,20-8+,21-9-,46-20+,46-21+.
What are the key properties of N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 840.08 g/mol, XLogP of 17.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134194372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).