N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine

C65H44N2 — CID 140913703

IUPACN-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)cc21
InChIInChI=1S/C65H44N2/c1-65(2)59-25-13-11-22-53(59)54-38-36-47(40-60(54)65)66(44-30-27-42(28-31-44)58-39-43-16-4-5-17-48(43)50-19-7-8-20-51(50)58)45-32-34-46(35-33-45)67-61-26-14-12-24-57(61)63-62-49-18-6-3-15-41(49)29-37-55(62)52-21-9-10-23-56(52)64(63)67/h3-40H,1-2H3
InChIKeyBBHFLOUGCLXXTI-UHFFFAOYSA-N
MW853.08 g/mol
LogP17.99
Rot. Bonds5

About N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine

N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine (PubChem CID 140913703) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
PubChem CID140913703
Molecular FormulaC65H44N2
Molecular Weight853.08 g/mol
Exact Mass852.35
IUPAC NameN-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)cc21
InChIInChI=1S/C65H44N2/c1-65(2)59-25-13-11-22-53(59)54-38-36-47(40-60(54)65)66(44-30-27-42(28-31-44)58-39-43-16-4-5-17-48(43)50-19-7-8-20-51(50)58)45-32-34-46(35-33-45)67-61-26-14-12-24-57(61)63-62-49-18-6-3-15-41(49)29-37-55(62)52-21-9-10-23-56(52)64(63)67/h3-40H,1-2H3
InChIKeyBBHFLOUGCLXXTI-UHFFFAOYSA-N
XLogP17.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(9,9-dimethylfluoren-2-yl)-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 174305786
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 159019074
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline
CID 157411298

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine (CID 140913703) is N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)cc21.
What is the InChIKey of N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine?
The InChIKey is BBHFLOUGCLXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-65(2)59-25-13-11-22-53(59)54-38-36-47(40-60(54)65)66(44-30-27-42(28-31-44)58-39-43-16-4-5-17-48(43)50-19-7-8-20-51(50)58)45-32-34-46(35-33-45)67-61-26-14-12-24-57(61)63-62-49-18-6-3-15-41(49)29-37-55(62)52-21-9-10-23-56(52)64(63)67/h3-40H,1-2H3.
What are the key properties of N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine?
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine has a molecular weight of 853.08 g/mol, XLogP of 17.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 140913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).