N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine

C70H46N2O — CID 126702849

IUPACN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c6ccc7c(c6)oc6ccccc67)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H46N2O/c1-69(2)59-23-11-6-20-51(59)56-41-58-57-38-44(30-37-65(57)72(66(58)42-64(56)69)45-16-4-3-5-17-45)43-28-31-46(32-29-43)71(48-33-35-54-53-22-10-15-27-67(53)73-68(54)40-48)47-34-36-63-55(39-47)52-21-9-14-26-62(52)70(63)60-24-12-7-18-49(60)50-19-8-13-25-61(50)70/h3-42H,1-2H3
InChIKeyLDBLMFNUTKRAAX-UHFFFAOYSA-N
MW931.15 g/mol
LogP18.47
Rot. Bonds5

About N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine

N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine (PubChem CID 126702849) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine
PubChem CID126702849
Molecular FormulaC70H46N2O
Molecular Weight931.15 g/mol
Exact Mass930.36
IUPAC NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c6ccc7c(c6)oc6ccccc67)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H46N2O/c1-69(2)59-23-11-6-20-51(59)56-41-58-57-38-44(30-37-65(57)72(66(58)42-64(56)69)45-16-4-3-5-17-45)43-28-31-46(32-29-43)71(48-33-35-54-53-22-10-15-27-67(53)73-68(54)40-48)47-34-36-63-55(39-47)52-21-9-14-26-62(52)70(63)60-24-12-7-18-49(60)50-19-8-13-25-61(50)70/h3-42H,1-2H3
InChIKeyLDBLMFNUTKRAAX-UHFFFAOYSA-N
XLogP18.47
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
CID 167214769
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-7-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine;N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 158028209
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
N-(9,9-diphenylfluoren-3-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 129256023
3-[6-[bis(9,9-dimethylfluoren-2-yl)amino]-9-phenylcarbazol-3-yl]xanthen-9-one
CID 142288867
N-[7-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-N,9-diphenylcarbazol-2-amine
CID 126632796
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine (CID 126702849) is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c6ccc7c(c6)oc6ccccc67)cc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine?
The InChIKey is LDBLMFNUTKRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-69(2)59-23-11-6-20-51(59)56-41-58-57-38-44(30-37-65(57)72(66(58)42-64(56)69)45-16-4-3-5-17-45)43-28-31-46(32-29-43)71(48-33-35-54-53-22-10-15-27-67(53)73-68(54)40-48)47-34-36-63-55(39-47)52-21-9-14-26-62(52)70(63)60-24-12-7-18-49(60)50-19-8-13-25-61(50)70/h3-42H,1-2H3.
What are the key properties of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine?
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine has a molecular weight of 931.15 g/mol, XLogP of 18.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 126702849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).