N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine

C93H62N2O2 — CID 139299201

IUPACN-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7C7(c8ccccc8N(c8ccccc8)c8ccccc87)c7ccccc76)c5)c4)cc3)c3cccc4c3Oc3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C93H62N2O2/c1-4-27-63(28-5-1)64-53-57-72(58-54-64)94(86-49-26-46-83-90(86)97-89-52-23-18-45-82(89)93(83)80-43-16-21-50-87(80)96-88-51-22-17-44-81(88)93)73-59-55-65(56-60-73)66-29-24-30-67(61-66)68-31-25-34-70(62-68)91(69-32-6-2-7-33-69)74-37-10-12-39-76(74)92(77-40-13-11-38-75(77)91)78-41-14-19-47-84(78)95(71-35-8-3-9-36-71)85-48-20-15-42-79(85)92/h1-62H
InChIKeyKSDMLZXECWNUGB-UHFFFAOYSA-N
MW1239.53 g/mol
LogP23.61
Rot. Bonds9

About N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine

N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine (PubChem CID 139299201) has the molecular formula C93H62N2O2 and a molecular weight of 1239.53 g/mol. Its IUPAC name is N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine.

Molecular Properties

Compound NameN-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine
PubChem CID139299201
Molecular FormulaC93H62N2O2
Molecular Weight1239.53 g/mol
Exact Mass1238.48
IUPAC NameN-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7C7(c8ccccc8N(c8ccccc8)c8ccccc87)c7ccccc76)c5)c4)cc3)c3cccc4c3Oc3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C93H62N2O2/c1-4-27-63(28-5-1)64-53-57-72(58-54-64)94(86-49-26-46-83-90(86)97-89-52-23-18-45-82(89)93(83)80-43-16-21-50-87(80)96-88-51-22-17-44-81(88)93)73-59-55-65(56-60-73)66-29-24-30-67(61-66)68-31-25-34-70(62-68)91(69-32-6-2-7-33-69)74-37-10-12-39-76(74)92(77-40-13-11-38-75(77)91)78-41-14-19-47-84(78)95(71-35-8-3-9-36-71)85-48-20-15-42-79(85)92/h1-62H
InChIKeyKSDMLZXECWNUGB-UHFFFAOYSA-N
XLogP23.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.53
LogP ≤ 523.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 160984403
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine?
The IUPAC name of N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine (CID 139299201) is N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine.
What is the SMILES notation for N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine?
The canonical SMILES for N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7C7(c8ccccc8N(c8ccccc8)c8ccccc87)c7ccccc76)c5)c4)cc3)c3cccc4c3Oc3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine?
The InChIKey is KSDMLZXECWNUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H62N2O2/c1-4-27-63(28-5-1)64-53-57-72(58-54-64)94(86-49-26-46-83-90(86)97-89-52-23-18-45-82(89)93(83)80-43-16-21-50-87(80)96-88-51-22-17-44-81(88)93)73-59-55-65(56-60-73)66-29-24-30-67(61-66)68-31-25-34-70(62-68)91(69-32-6-2-7-33-69)74-37-10-12-39-76(74)92(77-40-13-11-38-75(77)91)78-41-14-19-47-84(78)95(71-35-8-3-9-36-71)85-48-20-15-42-79(85)92/h1-62H.
What are the key properties of N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine?
N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine has a molecular weight of 1239.53 g/mol, XLogP of 23.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine is sourced from PubChem (CID 139299201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).