N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C51H36N2O — CID 171754176

IUPACN-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-18-10-9-15-38(43)39-26-25-37(30-44(39)51)53(36-23-20-33(21-24-36)32-12-4-3-5-13-32)47-31-49-50(41-17-8-7-16-40(41)47)42-28-35(22-27-48(42)54-49)46-29-34-14-6-11-19-45(34)52-46/h3-28,30-31H,29H2,1-2H3
InChIKeyCRCFMOSZOUGVTG-UHFFFAOYSA-N
MW692.86 g/mol
LogP13.86
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 171754176) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID171754176
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-18-10-9-15-38(43)39-26-25-37(30-44(39)51)53(36-23-20-33(21-24-36)32-12-4-3-5-13-32)47-31-49-50(41-17-8-7-16-40(41)47)42-28-35(22-27-48(42)54-49)46-29-34-14-6-11-19-45(34)52-46/h3-28,30-31H,29H2,1-2H3
InChIKeyCRCFMOSZOUGVTG-UHFFFAOYSA-N
XLogP13.86
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 171754176) is N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is CRCFMOSZOUGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)43-18-10-9-15-38(43)39-26-25-37(30-44(39)51)53(36-23-20-33(21-24-36)32-12-4-3-5-13-32)47-31-49-50(41-17-8-7-16-40(41)47)42-28-35(22-27-48(42)54-49)46-29-34-14-6-11-19-45(34)52-46/h3-28,30-31H,29H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 692.86 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 171754176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).