7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine

C74H70N2O — CID 163640998

IUPAC7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(C67CCC8CC(CC8C6)C7)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C74H70N2O/c1-71(2)65-11-7-5-9-59(65)61-25-21-55(36-67(61)71)75(53-17-13-51(14-18-53)73-30-29-49-34-48(40-73)35-50(49)44-73)57-23-27-63-64-28-24-58(39-70(64)77-69(63)38-57)76(56-22-26-62-60-10-6-8-12-66(60)72(3,4)68(62)37-56)54-19-15-52(16-20-54)74-41-45-31-46(42-74)33-47(32-45)43-74/h5-28,36-39,45-50H,29-35,40-44H2,1-4H3
InChIKeyIEGAHIVXMDOSHZ-UHFFFAOYSA-N
MW1003.39 g/mol
LogP20.07
Rot. Bonds8

About 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine

7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 163640998) has the molecular formula C74H70N2O and a molecular weight of 1003.39 g/mol. Its IUPAC name is 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID163640998
Molecular FormulaC74H70N2O
Molecular Weight1003.39 g/mol
Exact Mass1002.55
IUPAC Name7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(C67CCC8CC(CC8C6)C7)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C74H70N2O/c1-71(2)65-11-7-5-9-59(65)61-25-21-55(36-67(61)71)75(53-17-13-51(14-18-53)73-30-29-49-34-48(40-73)35-50(49)44-73)57-23-27-63-64-28-24-58(39-70(64)77-69(63)38-57)76(56-22-26-62-60-10-6-8-12-66(60)72(3,4)68(62)37-56)54-19-15-52(16-20-54)74-41-45-31-46(42-74)33-47(32-45)43-74/h5-28,36-39,45-50H,29-35,40-44H2,1-4H3
InChIKeyIEGAHIVXMDOSHZ-UHFFFAOYSA-N
XLogP20.07
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.39
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine
CID 154961866
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
CID 140919877
2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
CID 164843679
N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
CID 90360978
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12',12'-dimethylspiro[cyclopentane-1,6'-indeno[1,2-b]fluorene]-2'-amine
CID 170543114

Frequently Asked Questions

What is the IUPAC name of 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine (CID 163640998) is 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(C67CCC8CC(CC8C6)C7)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.
What is the InChIKey of 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is IEGAHIVXMDOSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H70N2O/c1-71(2)65-11-7-5-9-59(65)61-25-21-55(36-67(61)71)75(53-17-13-51(14-18-53)73-30-29-49-34-48(40-73)35-50(49)44-73)57-23-27-63-64-28-24-58(39-70(64)77-69(63)38-57)76(56-22-26-62-60-10-6-8-12-66(60)72(3,4)68(62)37-56)54-19-15-52(16-20-54)74-41-45-31-46(42-74)33-47(32-45)43-74/h5-28,36-39,45-50H,29-35,40-44H2,1-4H3.
What are the key properties of 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine?
7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 1003.39 g/mol, XLogP of 20.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 163640998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).