3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine

C60H44N4 — CID 130381667

IUPAC3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc3ccc4cc5c(c6c4c3c(c21)n6-c1cccc(-c2cccnc2)c1)C(C)(C)c1cc(N(c2ccccc2)c2ccc(-c3cccnc3)cc2)ccc1-5
InChIInChI=1S/C60H44N4/c1-59(2)51-20-9-8-19-47(51)49-32-39-21-22-40-33-50-48-28-27-46(63(43-16-6-5-7-17-43)44-25-23-37(24-26-44)41-14-11-29-61-35-41)34-52(48)60(3,4)56(50)58-54(40)53(39)57(55(49)59)64(58)45-18-10-13-38(31-45)42-15-12-30-62-36-42/h5-36H,1-4H3
InChIKeyRWPYXVROFVPVGB-UHFFFAOYSA-N
MW821.04 g/mol
LogP15.58
Rot. Bonds6

About 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine

3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine (PubChem CID 130381667) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine.

Molecular Properties

Compound Name3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine
PubChem CID130381667
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC Name3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc3ccc4cc5c(c6c4c3c(c21)n6-c1cccc(-c2cccnc2)c1)C(C)(C)c1cc(N(c2ccccc2)c2ccc(-c3cccnc3)cc2)ccc1-5
InChIInChI=1S/C60H44N4/c1-59(2)51-20-9-8-19-47(51)49-32-39-21-22-40-33-50-48-28-27-46(63(43-16-6-5-7-17-43)44-25-23-37(24-26-44)41-14-11-29-61-35-41)34-52(48)60(3,4)56(50)58-54(40)53(39)57(55(49)59)64(58)45-18-10-13-38(31-45)42-15-12-30-62-36-42/h5-36H,1-4H3
InChIKeyRWPYXVROFVPVGB-UHFFFAOYSA-N
XLogP15.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine with MolForge

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Related Compounds

3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
CID 130381885
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 158303930
N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 161461868
N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-pyridin-3-ylphenyl)carbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 159097334
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118505654
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;methane
CID 160706039
N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-phenyl-N-(4-pyridin-3-ylphenyl)-4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]aniline
CID 158025945
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
CID 71248704

Frequently Asked Questions

What is the IUPAC name of 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine?
The IUPAC name of 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine (CID 130381667) is 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine.
What is the SMILES notation for 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine?
The canonical SMILES for 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine is CC1(C)c2ccccc2-c2cc3ccc4cc5c(c6c4c3c(c21)n6-c1cccc(-c2cccnc2)c1)C(C)(C)c1cc(N(c2ccccc2)c2ccc(-c3cccnc3)cc2)ccc1-5.
What is the InChIKey of 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine?
The InChIKey is RWPYXVROFVPVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-59(2)51-20-9-8-19-47(51)49-32-39-21-22-40-33-50-48-28-27-46(63(43-16-6-5-7-17-43)44-25-23-37(24-26-44)41-14-11-29-61-35-41)34-52(48)60(3,4)56(50)58-54(40)53(39)57(55(49)59)64(58)45-18-10-13-38(31-45)42-15-12-30-62-36-42/h5-36H,1-4H3.
What are the key properties of 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine?
3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine has a molecular weight of 821.04 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,24,24-tetramethyl-N-phenyl-29-(3-pyridin-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4(9),5,7,11,13,15,17(25),18,20,22,26-tridecaen-6-amine is sourced from PubChem (CID 130381667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).