9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine

C61H43N3 — CID 162073988

IUPAC9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c(-c7ccccc7)c7c8ccccc8c8ccccc8n7c65)cc4)cc3)cccc21
InChIInChI=1S/C61H43N3/c1-61(2)51-27-14-11-25-49(51)57-52(61)28-17-31-55(57)62(43-20-7-4-8-21-43)44-36-32-40(33-37-44)41-34-38-45(39-35-41)63-54-30-16-13-26-50(54)58-56(42-18-5-3-6-19-42)59-48-24-10-9-22-46(48)47-23-12-15-29-53(47)64(59)60(58)63/h3-39H,1-2H3
InChIKeyZBLROEWYYTURAI-UHFFFAOYSA-N
MW818.04 g/mol
LogP16.45
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine

9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine (PubChem CID 162073988) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
PubChem CID162073988
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c(-c7ccccc7)c7c8ccccc8c8ccccc8n7c65)cc4)cc3)cccc21
InChIInChI=1S/C61H43N3/c1-61(2)51-27-14-11-25-49(51)57-52(61)28-17-31-55(57)62(43-20-7-4-8-21-43)44-36-32-40(33-37-44)41-34-38-45(39-35-41)63-54-30-16-13-26-50(54)58-56(42-18-5-3-6-19-42)59-48-24-10-9-22-46(48)47-23-12-15-29-53(47)64(59)60(58)63/h3-39H,1-2H3
InChIKeyZBLROEWYYTURAI-UHFFFAOYSA-N
XLogP16.45
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(1-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(4-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 158052974
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine (CID 162073988) is 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c(-c7ccccc7)c7c8ccccc8c8ccccc8n7c65)cc4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?
The InChIKey is ZBLROEWYYTURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-61(2)51-27-14-11-25-49(51)57-52(61)28-17-31-55(57)62(43-20-7-4-8-21-43)44-36-32-40(33-37-44)41-34-38-45(39-35-41)63-54-30-16-13-26-50(54)58-56(42-18-5-3-6-19-42)59-48-24-10-9-22-46(48)47-23-12-15-29-53(47)64(59)60(58)63/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?
9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine has a molecular weight of 818.04 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine is sourced from PubChem (CID 162073988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).