(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine

C68H56N2 — CID 170304460

IUPAC(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)C6CC7C[C@@H]8CC5C68C7)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)ccc32)cc1
InChIInChI=1S/C68H56N2/c1-3-15-45(16-4-1)52-24-13-17-46-18-14-25-57(66(46)52)55-22-8-11-27-61(55)69(51-34-35-54-53-21-7-10-26-59(53)68(60(54)41-51)64-38-43-37-48-40-65(68)67(48,64)42-43)50-32-29-44(30-33-50)47-31-36-63-58(39-47)56-23-9-12-28-62(56)70(63)49-19-5-2-6-20-49/h2,5-14,17-36,39,41,43,45,48,64-65H,1,3-4,15-16,37-38,40,42H2/t43?,48-,64?,65?,67?,68?/m1/s1
InChIKeyYCSITKYCQUUSTG-HDGSNFTJSA-N
MW901.21 g/mol
LogP18.12
Rot. Bonds7

About (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine

(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine (PubChem CID 170304460) has the molecular formula C68H56N2 and a molecular weight of 901.21 g/mol. Its IUPAC name is (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine.

Molecular Properties

Compound Name(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
PubChem CID170304460
Molecular FormulaC68H56N2
Molecular Weight901.21 g/mol
Exact Mass900.44
IUPAC Name(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)C6CC7C[C@@H]8CC5C68C7)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)ccc32)cc1
InChIInChI=1S/C68H56N2/c1-3-15-45(16-4-1)52-24-13-17-46-18-14-25-57(66(46)52)55-22-8-11-27-61(55)69(51-34-35-54-53-21-7-10-26-59(53)68(60(54)41-51)64-38-43-37-48-40-65(68)67(48,64)42-43)50-32-29-44(30-33-50)47-31-36-63-58(39-47)56-23-9-12-28-62(56)70(63)49-19-5-2-6-20-49/h2,5-14,17-36,39,41,43,45,48,64-65H,1,3-4,15-16,37-38,40,42H2/t43?,48-,64?,65?,67?,68?/m1/s1
InChIKeyYCSITKYCQUUSTG-HDGSNFTJSA-N
XLogP18.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.21
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine with MolForge

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170304602
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170303731
9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
CID 170304350
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170303747
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304414
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170304430
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 170304515
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304432
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303754

Frequently Asked Questions

What is the IUPAC name of (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine?
The IUPAC name of (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine (CID 170304460) is (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine.
What is the SMILES notation for (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine?
The canonical SMILES for (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)C6CC7C[C@@H]8CC5C68C7)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)ccc32)cc1.
What is the InChIKey of (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine?
The InChIKey is YCSITKYCQUUSTG-HDGSNFTJSA-N. The full InChI is InChI=1S/C68H56N2/c1-3-15-45(16-4-1)52-24-13-17-46-18-14-25-57(66(46)52)55-22-8-11-27-61(55)69(51-34-35-54-53-21-7-10-26-59(53)68(60(54)41-51)64-38-43-37-48-40-65(68)67(48,64)42-43)50-32-29-44(30-33-50)47-31-36-63-58(39-47)56-23-9-12-28-62(56)70(63)49-19-5-2-6-20-49/h2,5-14,17-36,39,41,43,45,48,64-65H,1,3-4,15-16,37-38,40,42H2/t43?,48-,64?,65?,67?,68?/m1/s1.
What are the key properties of (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine?
(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine has a molecular weight of 901.21 g/mol, XLogP of 18.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine is sourced from PubChem (CID 170304460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).