N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C86H55N3 — CID 59306973

IUPACN-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6)cc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C86H55N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-54,87H
InChIKeyVNPHPPHIMGIOKA-UHFFFAOYSA-N
MW1130.41 g/mol
LogP22.28
Rot. Bonds8

About N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 59306973) has the molecular formula C86H55N3 and a molecular weight of 1130.41 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID59306973
Molecular FormulaC86H55N3
Molecular Weight1130.41 g/mol
Exact Mass1129.44
IUPAC NameN-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6)cc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C86H55N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-54,87H
InChIKeyVNPHPPHIMGIOKA-UHFFFAOYSA-N
XLogP22.28
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.41
LogP ≤ 522.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-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-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
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
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
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,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
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
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 59306973) is N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6)cc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VNPHPPHIMGIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H55N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-54,87H.
What are the key properties of N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1130.41 g/mol, XLogP of 22.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 59306973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).