N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine

C57H49N — CID 137493406

IUPACN,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1cc(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)c1ccccc21
InChIInChI=1S/C57H49N/c1-3-15-38(16-4-1)40-27-31-44(32-28-40)58(45-33-29-41(30-34-45)39-17-5-2-6-18-39)55-37-54-56(49-24-10-9-23-48(49)55)50-35-42-19-7-8-20-43(42)36-53(50)57(54)51-25-13-11-21-46(51)47-22-12-14-26-52(47)57/h7-14,19-39H,1-6,15-18H2
InChIKeyCRPXYRMHLUSXKH-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.90
Rot. Bonds5

About N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine

N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine (PubChem CID 137493406) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
PubChem CID137493406
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1cc(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)c1ccccc21
InChIInChI=1S/C57H49N/c1-3-15-38(16-4-1)40-27-31-44(32-28-40)58(45-33-29-41(30-34-45)39-17-5-2-6-18-39)55-37-54-56(49-24-10-9-23-48(49)55)50-35-42-19-7-8-20-43(42)36-53(50)57(54)51-25-13-11-21-46(51)47-22-12-14-26-52(47)57/h7-14,19-39H,1-6,15-18H2
InChIKeyCRPXYRMHLUSXKH-UHFFFAOYSA-N
XLogP15.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494409
9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 140738019
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
N-phenyl-N-(3,4,5-trimethylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 140962814
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787
N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(3,5-dimethylphenyl)-N-(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,5-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 159575088
9-N,9-N,15-N,15-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738174
methylcyclohexane;9-N,19-N,19-N-tris(4-cyclohexylphenyl)-12,12,22,22-tetramethyl-9-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 143607906
N,N-bis(4-cyclohexylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-22-amine
CID 121431489
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine?
The IUPAC name of N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine (CID 137493406) is N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine is c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1cc(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)c1ccccc21.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine?
The InChIKey is CRPXYRMHLUSXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-3-15-38(16-4-1)40-27-31-44(32-28-40)58(45-33-29-41(30-34-45)39-17-5-2-6-18-39)55-37-54-56(49-24-10-9-23-48(49)55)50-35-42-19-7-8-20-43(42)36-53(50)57(54)51-25-13-11-21-46(51)47-22-12-14-26-52(47)57/h7-14,19-39H,1-6,15-18H2.
What are the key properties of N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine?
N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine has a molecular weight of 748.03 g/mol, XLogP of 15.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine is sourced from PubChem (CID 137493406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).