N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C112H76N4 — CID 138519532

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccc(N(c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8)c7)ccc65)cc4)c3)cc21
InChIInChI=1S/C112H76N4/c1-111(2)101-35-13-6-28-91(101)95-65-63-89(71-105(95)111)114(85-55-42-74(43-56-85)73-22-4-3-5-23-73)88-27-21-26-81(69-88)78-50-61-87(62-51-78)116-109-41-19-12-34-99(109)100-70-82(52-67-110(100)116)80-25-20-24-79(68-80)77-48-57-84(58-49-77)113(83-53-44-75(45-54-83)76-46-59-86(60-47-76)115-107-39-17-10-32-97(107)98-33-11-18-40-108(98)115)90-64-66-96-94-31-9-16-38-104(94)112(106(96)72-90)102-36-14-7-29-92(102)93-30-8-15-37-103(93)112/h3-72H,1-2H3
InChIKeyURUYDPUCNQBXDJ-UHFFFAOYSA-N
MW1477.87 g/mol
LogP29.81
Rot. Bonds13

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 138519532) has the molecular formula C112H76N4 and a molecular weight of 1477.87 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID138519532
Molecular FormulaC112H76N4
Molecular Weight1477.87 g/mol
Exact Mass1476.61
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccc(N(c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8)c7)ccc65)cc4)c3)cc21
InChIInChI=1S/C112H76N4/c1-111(2)101-35-13-6-28-91(101)95-65-63-89(71-105(95)111)114(85-55-42-74(43-56-85)73-22-4-3-5-23-73)88-27-21-26-81(69-88)78-50-61-87(62-51-78)116-109-41-19-12-34-99(109)100-70-82(52-67-110(100)116)80-25-20-24-79(68-80)77-48-57-84(58-49-77)113(83-53-44-75(45-54-83)76-46-59-86(60-47-76)115-107-39-17-10-32-97(107)98-33-11-18-40-108(98)115)90-64-66-96-94-31-9-16-38-104(94)112(106(96)72-90)102-36-14-7-29-92(102)93-30-8-15-37-103(93)112/h3-72H,1-2H3
InChIKeyURUYDPUCNQBXDJ-UHFFFAOYSA-N
XLogP29.81
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.87
LogP ≤ 529.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
CID 159335093
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162012956
N-(3-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158769876

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 138519532) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccc(N(c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8)c7)ccc65)cc4)c3)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is URUYDPUCNQBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H76N4/c1-111(2)101-35-13-6-28-91(101)95-65-63-89(71-105(95)111)114(85-55-42-74(43-56-85)73-22-4-3-5-23-73)88-27-21-26-81(69-88)78-50-61-87(62-51-78)116-109-41-19-12-34-99(109)100-70-82(52-67-110(100)116)80-25-20-24-79(68-80)77-48-57-84(58-49-77)113(83-53-44-75(45-54-83)76-46-59-86(60-47-76)115-107-39-17-10-32-97(107)98-33-11-18-40-108(98)115)90-64-66-96-94-31-9-16-38-104(94)112(106(96)72-90)102-36-14-7-29-92(102)93-30-8-15-37-103(93)112/h3-72H,1-2H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1477.87 g/mol, XLogP of 29.81, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 138519532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).