N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

C60H54N2 — CID 168722755

IUPACN-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(Cc3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21CCCCC1
InChIInChI=1S/C60H54N2/c1-10-30-59(31-11-1)53-16-6-2-12-47(53)49-29-27-46(37-55(49)59)61(44-23-25-45(26-24-44)62-57-18-8-4-14-51(57)52-15-5-9-19-58(52)62)38-40-21-28-50-48-13-3-7-17-54(48)60(56(50)36-40)42-22-20-39-32-41(34-42)35-43(60)33-39/h2-9,12-19,21,23-29,36-37,39,41-43H,1,10-11,20,22,30-35,38H2
InChIKeyQIVGOYRWXSVLLM-UHFFFAOYSA-N
MW803.11 g/mol
LogP15.47
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 168722755) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
PubChem CID168722755
Molecular FormulaC60H54N2
Molecular Weight803.11 g/mol
Exact Mass802.43
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(Cc3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21CCCCC1
InChIInChI=1S/C60H54N2/c1-10-30-59(31-11-1)53-16-6-2-12-47(53)49-29-27-46(37-55(49)59)61(44-23-25-45(26-24-44)62-57-18-8-4-14-51(57)52-15-5-9-19-58(52)62)38-40-21-28-50-48-13-3-7-17-54(48)60(56(50)36-40)42-22-20-39-32-41(34-42)35-43(60)33-39/h2-9,12-19,21,23-29,36-37,39,41-43H,1,10-11,20,22,30-35,38H2
InChIKeyQIVGOYRWXSVLLM-UHFFFAOYSA-N
XLogP15.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.11
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine with MolForge

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Related Compounds

9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
CID 168722791
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
N-(9,9-dimethylfluoren-2-yl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722320
N-phenanthren-2-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722361
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
CID 168723056
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
N-(3-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722683

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 168722755) is N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is c1ccc2c(c1)-c1ccc(N(Cc3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21CCCCC1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The InChIKey is QIVGOYRWXSVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2/c1-10-30-59(31-11-1)53-16-6-2-12-47(53)49-29-27-46(37-55(49)59)61(44-23-25-45(26-24-44)62-57-18-8-4-14-51(57)52-15-5-9-19-58(52)62)38-40-21-28-50-48-13-3-7-17-54(48)60(56(50)36-40)42-22-20-39-32-41(34-42)35-43(60)33-39/h2-9,12-19,21,23-29,36-37,39,41-43H,1,10-11,20,22,30-35,38H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 803.11 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-ylmethyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 168722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).