N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine

C50H51N — CID 168738714

IUPACN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H51N/c1-49(2)46-10-6-9-43(36-7-4-3-5-8-36)48(46)44-22-21-42(28-47(44)49)51(40-17-13-37(14-18-40)45-27-32-11-12-38(45)26-32)41-19-15-39(16-20-41)50-29-33-23-34(30-50)25-35(24-33)31-50/h3-10,13-22,28,32-35,38,45H,11-12,23-27,29-31H2,1-2H3
InChIKeySHRHYWBTFSTTAP-UHFFFAOYSA-N
MW665.97 g/mol
LogP13.50
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine

N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine (PubChem CID 168738714) has the molecular formula C50H51N and a molecular weight of 665.97 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
PubChem CID168738714
Molecular FormulaC50H51N
Molecular Weight665.97 g/mol
Exact Mass665.40
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H51N/c1-49(2)46-10-6-9-43(36-7-4-3-5-8-36)48(46)44-22-21-42(28-47(44)49)51(40-17-13-37(14-18-40)45-27-32-11-12-38(45)26-32)41-19-15-39(16-20-41)50-29-33-23-34(30-50)25-35(24-33)31-50/h3-10,13-22,28,32-35,38,45H,11-12,23-27,29-31H2,1-2H3
InChIKeySHRHYWBTFSTTAP-UHFFFAOYSA-N
XLogP13.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.97
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405155
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660885
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 170543265
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438962
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416141
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine (CID 168738714) is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine?
The InChIKey is SHRHYWBTFSTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51N/c1-49(2)46-10-6-9-43(36-7-4-3-5-8-36)48(46)44-22-21-42(28-47(44)49)51(40-17-13-37(14-18-40)45-27-32-11-12-38(45)26-32)41-19-15-39(16-20-41)50-29-33-23-34(30-50)25-35(24-33)31-50/h3-10,13-22,28,32-35,38,45H,11-12,23-27,29-31H2,1-2H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine has a molecular weight of 665.97 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine is sourced from PubChem (CID 168738714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).