3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]

C198H120 — CID 160504023

IUPAC3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]
SMILESCc1cc2c(cc1-c1ccc3c4ccccc4c4ccccc4c3c1)C1(c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(C)cc3-2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(C)cc2-c2cc(C)c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2cc3cc4c(-c5ccc6c(c5)C5(c7cc(-c8cccc9cc%10cc%11ccccc%11cc%10cc89)ccc7-6)c6cc(-c7cccc8cc9cc%10ccccc%10cc9cc78)ccc6-c6ccc(-c7cccc8cc9cc%10ccccc%10cc9cc78)cc65)cccc4cc3cc2c1
InChIInChI=1S/C101H64.C97H56/c1-57-45-93-94-46-58(2)86(62-38-42-82-74-30-10-6-22-66(74)70-26-14-18-34-78(70)90(82)50-62)54-98(94)101(97(93)53-85(57)61-37-41-81-73-29-9-5-21-65(73)69-25-13-17-33-77(69)89(81)49-61)99-55-87(63-39-43-83-75-31-11-7-23-67(75)71-27-15-19-35-79(71)91(83)51-63)59(3)47-95(99)96-48-60(4)88(56-100(96)101)64-40-44-84-76-32-12-8-24-68(76)72-28-16-20-36-80(72)92(84)52-64;1-5-17-61-41-77-49-89-65(45-73(77)37-57(61)13-1)21-9-25-81(89)69-29-33-85-86-34-30-70(82-26-10-22-66-46-74-38-58-14-2-6-18-62(58)42-78(74)50-90(66)82)54-94(86)97(93(85)53-69)95-55-71(83-27-11-23-67-47-75-39-59-15-3-7-19-63(59)43-79(75)51-91(67)83)31-35-87(95)88-36-32-72(56-96(88)97)84-28-12-24-68-48-76-40-60-16-4-8-20-64(60)44-80(76)52-92(68)84/h5-56H,1-4H3;1-56H
InChIKeyQSDQAYLKMQTVFL-UHFFFAOYSA-N
MW2499.14 g/mol
LogP54.31
Rot. Bonds8

About 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]

3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] (PubChem CID 160504023) has the molecular formula C198H120 and a molecular weight of 2499.14 g/mol. Its IUPAC name is 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]
PubChem CID160504023
Molecular FormulaC198H120
Molecular Weight2499.14 g/mol
Exact Mass2496.94
IUPAC Name3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]
SMILESCc1cc2c(cc1-c1ccc3c4ccccc4c4ccccc4c3c1)C1(c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(C)cc3-2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(C)cc2-c2cc(C)c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2cc3cc4c(-c5ccc6c(c5)C5(c7cc(-c8cccc9cc%10cc%11ccccc%11cc%10cc89)ccc7-6)c6cc(-c7cccc8cc9cc%10ccccc%10cc9cc78)ccc6-c6ccc(-c7cccc8cc9cc%10ccccc%10cc9cc78)cc65)cccc4cc3cc2c1
InChIInChI=1S/C101H64.C97H56/c1-57-45-93-94-46-58(2)86(62-38-42-82-74-30-10-6-22-66(74)70-26-14-18-34-78(70)90(82)50-62)54-98(94)101(97(93)53-85(57)61-37-41-81-73-29-9-5-21-65(73)69-25-13-17-33-77(69)89(81)49-61)99-55-87(63-39-43-83-75-31-11-7-23-67(75)71-27-15-19-35-79(71)91(83)51-63)59(3)47-95(99)96-48-60(4)88(56-100(96)101)64-40-44-84-76-32-12-8-24-68(76)72-28-16-20-36-80(72)92(84)52-64;1-5-17-61-41-77-49-89-65(45-73(77)37-57(61)13-1)21-9-25-81(89)69-29-33-85-86-34-30-70(82-26-10-22-66-46-74-38-58-14-2-6-18-62(58)42-78(74)50-90(66)82)54-94(86)97(93(85)53-69)95-55-71(83-27-11-23-67-47-75-39-59-15-3-7-19-63(59)43-79(75)51-91(67)83)31-35-87(95)88-36-32-72(56-96(88)97)84-28-12-24-68-48-76-40-60-16-4-8-20-64(60)44-80(76)52-92(68)84/h5-56H,1-4H3;1-56H
InChIKeyQSDQAYLKMQTVFL-UHFFFAOYSA-N
XLogP54.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002499.14
LogP ≤ 554.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922
20'-(3-triphenylen-2-ylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 159754407
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
CID 145144830
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
25-chrysen-6-yl-22,22,32,32-tetramethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 123959773
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 159722155
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626

Frequently Asked Questions

What is the IUPAC name of 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] (CID 160504023) is 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] is Cc1cc2c(cc1-c1ccc3c4ccccc4c4ccccc4c3c1)C1(c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(C)cc3-2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(C)cc2-c2cc(C)c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2cc3cc4c(-c5ccc6c(c5)C5(c7cc(-c8cccc9cc%10cc%11ccccc%11cc%10cc89)ccc7-6)c6cc(-c7cccc8cc9cc%10ccccc%10cc9cc78)ccc6-c6ccc(-c7cccc8cc9cc%10ccccc%10cc9cc78)cc65)cccc4cc3cc2c1.
What is the InChIKey of 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]?
The InChIKey is QSDQAYLKMQTVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H64.C97H56/c1-57-45-93-94-46-58(2)86(62-38-42-82-74-30-10-6-22-66(74)70-26-14-18-34-78(70)90(82)50-62)54-98(94)101(97(93)53-85(57)61-37-41-81-73-29-9-5-21-65(73)69-25-13-17-33-77(69)89(81)49-61)99-55-87(63-39-43-83-75-31-11-7-23-67(75)71-27-15-19-35-79(71)91(83)51-63)59(3)47-95(99)96-48-60(4)88(56-100(96)101)64-40-44-84-76-32-12-8-24-68(76)72-28-16-20-36-80(72)92(84)52-64;1-5-17-61-41-77-49-89-65(45-73(77)37-57(61)13-1)21-9-25-81(89)69-29-33-85-86-34-30-70(82-26-10-22-66-46-74-38-58-14-2-6-18-62(58)42-78(74)50-90(66)82)54-94(86)97(93(85)53-69)95-55-71(83-27-11-23-67-47-75-39-59-15-3-7-19-63(59)43-79(75)51-91(67)83)31-35-87(95)88-36-32-72(56-96(88)97)84-28-12-24-68-48-76-40-60-16-4-8-20-64(60)44-80(76)52-92(68)84/h5-56H,1-4H3;1-56H.
What are the key properties of 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene]?
3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] has a molecular weight of 2499.14 g/mol, XLogP of 54.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3',6,6'-tetramethyl-2,2',7,7'-tetra(triphenylen-2-yl)-9,9'-spirobi[fluorene];2,2',7,7'-tetra(tetracen-1-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 160504023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).