N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine

C80H52N2O — CID 168750620

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c4c2-c2ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cc5)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C80H52N2O/c1-6-22-54(23-7-1)63-48-49-74-78-77(63)68-45-40-55(50-71(68)80(78,58-28-12-4-13-29-58)70-35-19-20-36-73(70)82(74)59-30-14-5-15-31-59)53-38-41-60(42-39-53)81(62-44-47-67-66-33-17-21-37-75(66)83-76(67)52-62)61-43-46-65-64-32-16-18-34-69(64)79(72(65)51-61,56-24-8-2-9-25-56)57-26-10-3-11-27-57/h1-52H
InChIKeySHIVNIWBEWJXMR-UHFFFAOYSA-N
MW1057.31 g/mol
LogP20.90
Rot. Bonds9

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine (PubChem CID 168750620) has the molecular formula C80H52N2O and a molecular weight of 1057.31 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
PubChem CID168750620
Molecular FormulaC80H52N2O
Molecular Weight1057.31 g/mol
Exact Mass1056.41
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c4c2-c2ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cc5)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C80H52N2O/c1-6-22-54(23-7-1)63-48-49-74-78-77(63)68-45-40-55(50-71(68)80(78,58-28-12-4-13-29-58)70-35-19-20-36-73(70)82(74)59-30-14-5-15-31-59)53-38-41-60(42-39-53)81(62-44-47-67-66-33-17-21-37-75(66)83-76(67)52-62)61-43-46-65-64-32-16-18-34-69(64)79(72(65)51-61,56-24-8-2-9-25-56)57-26-10-3-11-27-57/h1-52H
InChIKeySHIVNIWBEWJXMR-UHFFFAOYSA-N
XLogP20.90
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.31
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
N-phenyl-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-2-amine
CID 168750812
N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;N,9-diphenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]carbazol-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 160866255
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 168750641
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine (CID 168750620) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc3c4c2-c2ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cc5)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is SHIVNIWBEWJXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2O/c1-6-22-54(23-7-1)63-48-49-74-78-77(63)68-45-40-55(50-71(68)80(78,58-28-12-4-13-29-58)70-35-19-20-36-73(70)82(74)59-30-14-5-15-31-59)53-38-41-60(42-39-53)81(62-44-47-67-66-33-17-21-37-75(66)83-76(67)52-62)61-43-46-65-64-32-16-18-34-69(64)79(72(65)51-61,56-24-8-2-9-25-56)57-26-10-3-11-27-57/h1-52H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 1057.31 g/mol, XLogP of 20.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168750620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).