N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine

C45H32N2 — CID 121432182

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)cc21
InChIInChI=1S/C45H32N2/c1-45(2)40-18-10-8-16-35(40)36-27-23-32(28-41(36)45)46(31-13-4-3-5-14-31)47-42-19-11-9-17-37(42)39-26-22-30-21-24-34-33-15-7-6-12-29(33)20-25-38(34)43(30)44(39)47/h3-28H,1-2H3
InChIKeyPOPUBAWQPGMOEZ-UHFFFAOYSA-N
MW600.77 g/mol
LogP12.16
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine (PubChem CID 121432182) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine
PubChem CID121432182
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)cc21
InChIInChI=1S/C45H32N2/c1-45(2)40-18-10-8-16-35(40)36-27-23-32(28-41(36)45)46(31-13-4-3-5-14-31)47-42-19-11-9-17-37(42)39-26-22-30-21-24-34-33-15-7-6-12-29(33)20-25-38(34)43(30)44(39)47/h3-28H,1-2H3
InChIKeyPOPUBAWQPGMOEZ-UHFFFAOYSA-N
XLogP12.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
CID 170410631
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
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
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine
CID 177294620
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaen-5-amine
CID 164839349
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine (CID 121432182) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine?
The InChIKey is POPUBAWQPGMOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)40-18-10-8-16-35(40)36-27-23-32(28-41(36)45)46(31-13-4-3-5-14-31)47-42-19-11-9-17-37(42)39-26-22-30-21-24-34-33-15-7-6-12-29(33)20-25-38(34)43(30)44(39)47/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine has a molecular weight of 600.77 g/mol, XLogP of 12.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaen-24-amine is sourced from PubChem (CID 121432182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).